4-aminobutane-2-sulfonamide;hydrochloride

C4H13ClN2O2S — CID 170912790

IUPAC4-aminobutane-2-sulfonamide;hydrochloride
SMILESCC(CCN)S(N)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-4(2-3-5)9(6,7)8;/h4H,2-3,5H2,1H3,(H2,6,7,8);1H
InChIKeyIYJFGILVVVVBKU-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.57
Rot. Bonds3

About 4-aminobutane-2-sulfonamide;hydrochloride

4-aminobutane-2-sulfonamide;hydrochloride (PubChem CID 170912790) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 4-aminobutane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-aminobutane-2-sulfonamide;hydrochloride
PubChem CID170912790
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC Name4-aminobutane-2-sulfonamide;hydrochloride
SMILESCC(CCN)S(N)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-4(2-3-5)9(6,7)8;/h4H,2-3,5H2,1H3,(H2,6,7,8);1H
InChIKeyIYJFGILVVVVBKU-UHFFFAOYSA-N
XLogP-0.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-aminobutane-2-sulfonamide;hydrochloride 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 4-aminobutane-2-sulfonamide;hydrochloride?
The IUPAC name of 4-aminobutane-2-sulfonamide;hydrochloride (CID 170912790) is 4-aminobutane-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-aminobutane-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-aminobutane-2-sulfonamide;hydrochloride is CC(CCN)S(N)(=O)=O.Cl.
What is the InChIKey of 4-aminobutane-2-sulfonamide;hydrochloride?
The InChIKey is IYJFGILVVVVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c1-4(2-3-5)9(6,7)8;/h4H,2-3,5H2,1H3,(H2,6,7,8);1H.
What are the key properties of 4-aminobutane-2-sulfonamide;hydrochloride?
4-aminobutane-2-sulfonamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 170912790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).