1-morpholin-4-ylpropane-2-sulfonic acid

C7H15NO4S — CID 57257868

IUPAC1-morpholin-4-ylpropane-2-sulfonic acid
SMILESCC(CN1CCOCC1)S(=O)(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(13(9,10)11)6-8-2-4-12-5-3-8/h7H,2-6H2,1H3,(H,9,10,11)
InChIKeyUDMOWKGOXGAZTP-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.41
Rot. Bonds3

About 1-morpholin-4-ylpropane-2-sulfonic acid

1-morpholin-4-ylpropane-2-sulfonic acid (PubChem CID 57257868) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-morpholin-4-ylpropane-2-sulfonic acid.

Molecular Properties

Compound Name1-morpholin-4-ylpropane-2-sulfonic acid
PubChem CID57257868
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name1-morpholin-4-ylpropane-2-sulfonic acid
SMILESCC(CN1CCOCC1)S(=O)(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(13(9,10)11)6-8-2-4-12-5-3-8/h7H,2-6H2,1H3,(H,9,10,11)
InChIKeyUDMOWKGOXGAZTP-UHFFFAOYSA-N
XLogP-0.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-morpholin-4-ylpropane-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mops
CID 70807
4-Morpholineethanesulfonic acid
CID 78165
4-Morpholinepropanesulfonic acid, sodium salt (1:1)
CID 3859613
2-Hydroxy-4-morpholinepropanesulphonic acid
CID 109333
4-Morpholineethanesulfonic acid, sodium salt (1:1)
CID 23673676
2-(N-Morpholino)ethanesulfonic acid hydrate
CID 16218417
4-Morpholinobutane-1-sulfonic acid
CID 3674064
4-Morpholineethanesulfonic acid, potassium salt (1:1)
CID 23702142
4-(2-Methylsulfonylethyl)morpholine
CID 22278680
4-(Ethylsulfonyl)morpholine
CID 4071453
3-(Morpholin-4-yl)propane-1-sulfonyl chloride hydrochloride
CID 22007742
4-(2-Methoxyethanesulfonyl)morpholine
CID 61694271

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropane-2-sulfonic acid?
The IUPAC name of 1-morpholin-4-ylpropane-2-sulfonic acid (CID 57257868) is 1-morpholin-4-ylpropane-2-sulfonic acid.
What is the SMILES notation for 1-morpholin-4-ylpropane-2-sulfonic acid?
The canonical SMILES for 1-morpholin-4-ylpropane-2-sulfonic acid is CC(CN1CCOCC1)S(=O)(=O)O.
What is the InChIKey of 1-morpholin-4-ylpropane-2-sulfonic acid?
The InChIKey is UDMOWKGOXGAZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(13(9,10)11)6-8-2-4-12-5-3-8/h7H,2-6H2,1H3,(H,9,10,11).
What are the key properties of 1-morpholin-4-ylpropane-2-sulfonic acid?
1-morpholin-4-ylpropane-2-sulfonic acid has a molecular weight of 209.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropane-2-sulfonic acid is sourced from PubChem (CID 57257868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).