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MOPS

Athanor · official

C7H15NO4S · 209.27 g/mol

IUPAC name: 3-morpholin-4-ylpropane-1-sulfonic acid

Also called 3-morpholinopropane-1-sulfonic acid, Good buffer

ReagentsRings
Open in Athanor
The structure of MOPS
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation

Names and identifiers

IUPAC name
3-morpholin-4-ylpropane-1-sulfonic acid
Synonyms
3-morpholinopropane-1-sulfonic acid, Good buffer, 3-Morpholinopropanesulfonic acid
+ 37 more

4-Morpholinepropanesulfonic acid, 3-(N-Morpholino)propanesulfonic acid, Morpholinopropane sulfonic acid, 3-morpholin-4-ylpropane-1-sulfonic acid, Morpholinopropanesulfonic acid, DTXSID4044371, 273BP63NV3, DTXCID2024371, CHEBI:44115, 3-[N-Morpholino]propanesulfonic acid, RefChem:926116, morpholine propanesulphonic acid, CHEBI:39074, 214-478-5, 3-Morpholinopropane-1-sulfonic acid, 3-(morpholin-4-yl)propane-1-sulfonic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, MFCD00006183, 3-(4-Morpholino)propanesulfonic acid, 4-Morpholinepropane sulfonic acid, 3-N-Morpholinopropanesulfonic acid, Morpholinopropanesulfonic acid; WAS 15, M02085, 3-morpholin-4-ylpropanesulfonic acid, MOPS solution, 3-(N-Morpholino)propane Sulfonic Acid; MOPS, 4-Morpholinopropanesulphonic acid, 3-(N-Morpholino)propane Sulfonic Acid (MOPS), EINECS 214-478-5, BRN 1106776, 2axi, 3-(4-Morpholino)propane sulfonic acid, MOPS, biochemical grade, bmse000788, bmse000893, MOPS [MI], SCHEMBL15732

Molecular formula
C7H15NO4S
Empirical formula
C7H15NO4S
Molecular weight
209.27 g/mol
Exact mass
209.07218
CAS number
1132-61-2
PubChem CID
70807
Canonical SMILES
C1COCCN1CCCS(=O)(=O)O
Isomeric SMILES
C1COCCN1CCCS(=O)(=O)O
InChI
InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
InChIKey
DVLFYONBTKHTER-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
13
Rings
1
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
1
H-bond acceptors
4 computed here · PubChem 5
Rotatable bonds
4
TPSA (Ų)
66.8 computed here · PubChem 75.2
Formal charge
0
XLogP3
-3.1 PubChem
Complexity
227 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C40.18%
  • H7.23%
  • N6.69%
  • O30.58%
  • S15.32%

Isotope pattern

100%209.0729.1%210.0755.7%211.070212.073

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-0.4 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.62 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.08 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 209.27
  • log P ≤ 5 (Crippen): -0.4
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 4

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 412 company reports to ECHA. Source [1].

  • Harmful or irritant
  • H315Causes skin irritation (53.4% of reports)
  • H319Causes serious eye irritation (53.4% of reports)
  • H335May cause respiratory irritation (52.7% of reports)

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)
  • [1] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 45.9% (189 of 412) of reports.
  • [1] European Chemicals Agency (ECHA) · 412 reports · WarningH315, H319, H335

Safety data sheets on the supplier’s page: Alfa Chemistry, CymitQuimica, AstaTech, Inc..

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  6. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  7. ·Literature on PubChem

Data last updated 2026-10-14.