4-aminobutane-1-sulfonamide

C4H12N2O2S — CID 11550042

IUPAC4-aminobutane-1-sulfonamide
SMILESNCCCCS(N)(=O)=O
InChIInChI=1S/C4H12N2O2S/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8)
InChIKeyMCNSKYBSFBPDON-UHFFFAOYSA-N
MW152.22 g/mol
LogP-0.99
Rot. Bonds4

About 4-aminobutane-1-sulfonamide

4-aminobutane-1-sulfonamide (PubChem CID 11550042) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-aminobutane-1-sulfonamide.

Molecular Properties

Compound Name4-aminobutane-1-sulfonamide
PubChem CID11550042
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC Name4-aminobutane-1-sulfonamide
SMILESNCCCCS(N)(=O)=O
InChIInChI=1S/C4H12N2O2S/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8)
InChIKeyMCNSKYBSFBPDON-UHFFFAOYSA-N
XLogP-0.99
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.99
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

3-Azaniumylpropane-1-sulfonate
CID 6991996
1,4-Butanesultam
CID 303508
Taurinamide
CID 101263
2-(2-Aminoethylsulfonylsulfanyl)ethanamine
CID 437876
3-Aminopropane-1-sulfonate
CID 3578030
4-amino-N-methylbutane-1-sulfonamide
CID 61456555
4-azido-N-methylbutane-1-sulfonamide
CID 71699855
2-Aminoethanesulphonamide monohydrochloride
CID 3021549
Isothiazolidine, 5-methyl-, 1,1-dioxide
CID 85960151
4-Aminobutanesulfonic acid
CID 3014806
3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
CID 45260204
N-ethylethane-1-sulfonamide
CID 3302035

Frequently Asked Questions

What is the IUPAC name of 4-aminobutane-1-sulfonamide?
The IUPAC name of 4-aminobutane-1-sulfonamide (CID 11550042) is 4-aminobutane-1-sulfonamide.
What is the SMILES notation for 4-aminobutane-1-sulfonamide?
The canonical SMILES for 4-aminobutane-1-sulfonamide is NCCCCS(N)(=O)=O.
What is the InChIKey of 4-aminobutane-1-sulfonamide?
The InChIKey is MCNSKYBSFBPDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8).
What are the key properties of 4-aminobutane-1-sulfonamide?
4-aminobutane-1-sulfonamide has a molecular weight of 152.22 g/mol, XLogP of -0.99, 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 is sourced from PubChem (CID 11550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).