4-sulfamoylbutanoic acid

C4H9NO4S — CID 2773320

IUPAC4-sulfamoylbutanoic acid
SMILESNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9)
InChIKeyOMPGKWICGUBROA-UHFFFAOYSA-N
MW167.19 g/mol
LogP-0.86
Rot. Bonds4

About 4-sulfamoylbutanoic acid

4-sulfamoylbutanoic acid (PubChem CID 2773320) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is 4-sulfamoylbutanoic acid.

Molecular Properties

Compound Name4-sulfamoylbutanoic acid
PubChem CID2773320
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name4-sulfamoylbutanoic acid
SMILESNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9)
InChIKeyOMPGKWICGUBROA-UHFFFAOYSA-N
XLogP-0.86
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylbutanoic acid?
The IUPAC name of 4-sulfamoylbutanoic acid (CID 2773320) is 4-sulfamoylbutanoic acid.
What is the SMILES notation for 4-sulfamoylbutanoic acid?
The canonical SMILES for 4-sulfamoylbutanoic acid is NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-sulfamoylbutanoic acid?
The InChIKey is OMPGKWICGUBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9).
What are the key properties of 4-sulfamoylbutanoic acid?
4-sulfamoylbutanoic acid has a molecular weight of 167.19 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylbutanoic acid is sourced from PubChem (CID 2773320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).