2-(sulfonylamino)butanoic acid

C4H7NO4S — CID 140996204

IUPAC2-(sulfonylamino)butanoic acid
SMILESCCC(N=S(=O)=O)C(=O)O
InChIInChI=1S/C4H7NO4S/c1-2-3(4(6)7)5-10(8)9/h3H,2H2,1H3,(H,6,7)
InChIKeyHMYBIJFUEBOWRG-UHFFFAOYSA-N
MW165.17 g/mol
LogP-0.09
Rot. Bonds3

About 2-(sulfonylamino)butanoic acid

2-(sulfonylamino)butanoic acid (PubChem CID 140996204) has the molecular formula C4H7NO4S and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(sulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-(sulfonylamino)butanoic acid
PubChem CID140996204
Molecular FormulaC4H7NO4S
Molecular Weight165.17 g/mol
Exact Mass165.01
IUPAC Name2-(sulfonylamino)butanoic acid
SMILESCCC(N=S(=O)=O)C(=O)O
InChIInChI=1S/C4H7NO4S/c1-2-3(4(6)7)5-10(8)9/h3H,2H2,1H3,(H,6,7)
InChIKeyHMYBIJFUEBOWRG-UHFFFAOYSA-N
XLogP-0.09
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(sulfonylamino)butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(sulfonylamino)butanoic acid?
The IUPAC name of 2-(sulfonylamino)butanoic acid (CID 140996204) is 2-(sulfonylamino)butanoic acid.
What is the SMILES notation for 2-(sulfonylamino)butanoic acid?
The canonical SMILES for 2-(sulfonylamino)butanoic acid is CCC(N=S(=O)=O)C(=O)O.
What is the InChIKey of 2-(sulfonylamino)butanoic acid?
The InChIKey is HMYBIJFUEBOWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S/c1-2-3(4(6)7)5-10(8)9/h3H,2H2,1H3,(H,6,7).
What are the key properties of 2-(sulfonylamino)butanoic acid?
2-(sulfonylamino)butanoic acid has a molecular weight of 165.17 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfonylamino)butanoic acid is sourced from PubChem (CID 140996204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).