4-aminobutane-1-sulfonamide;hydrochloride

C4H13ClN2O2S — CID 119032131

IUPAC4-aminobutane-1-sulfonamide;hydrochloride
SMILESCl.NCCCCS(N)(=O)=O
InChIInChI=1S/C4H12N2O2S.ClH/c5-3-1-2-4-9(6,7)8;/h1-5H2,(H2,6,7,8);1H
InChIKeyVRHNSJZWFOBKMY-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.56
Rot. Bonds4

About 4-aminobutane-1-sulfonamide;hydrochloride

4-aminobutane-1-sulfonamide;hydrochloride (PubChem CID 119032131) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 4-aminobutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-aminobutane-1-sulfonamide;hydrochloride
PubChem CID119032131
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC Name4-aminobutane-1-sulfonamide;hydrochloride
SMILESCl.NCCCCS(N)(=O)=O
InChIInChI=1S/C4H12N2O2S.ClH/c5-3-1-2-4-9(6,7)8;/h1-5H2,(H2,6,7,8);1H
InChIKeyVRHNSJZWFOBKMY-UHFFFAOYSA-N
XLogP-0.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Taurinamide
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2-Aminoethanesulphonamide monohydrochloride
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4-Aminobutanesulfonic acid
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N-ethylethane-1-sulfonamide
CID 3302035
3-Aminopropane-1-sulfonamide hydrochloride
CID 20031880
2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride
CID 23448789
N-(3-aminopropyl)ethane-1-sulfonamide
CID 24702447
2-amino-N-methylethane-1-sulfonamide hydrochloride
CID 46736945
3-amino-N,N-dimethylpropane-1-sulfonamide hydrochloride
CID 49757600

Frequently Asked Questions

What is the IUPAC name of 4-aminobutane-1-sulfonamide;hydrochloride?
The IUPAC name of 4-aminobutane-1-sulfonamide;hydrochloride (CID 119032131) is 4-aminobutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-aminobutane-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-aminobutane-1-sulfonamide;hydrochloride is Cl.NCCCCS(N)(=O)=O.
What is the InChIKey of 4-aminobutane-1-sulfonamide;hydrochloride?
The InChIKey is VRHNSJZWFOBKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c5-3-1-2-4-9(6,7)8;/h1-5H2,(H2,6,7,8);1H.
What are the key properties of 4-aminobutane-1-sulfonamide;hydrochloride?
4-aminobutane-1-sulfonamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119032131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).