3-hydroxybutane-1-sulfonamide

C4H11NO3S — CID 54062303

IUPAC3-hydroxybutane-1-sulfonamide
SMILESCC(O)CCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(6)2-3-9(5,7)8/h4,6H,2-3H2,1H3,(H2,5,7,8)
InChIKeyYPQRXNOKACKVJB-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.95
Rot. Bonds3

About 3-hydroxybutane-1-sulfonamide

3-hydroxybutane-1-sulfonamide (PubChem CID 54062303) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxybutane-1-sulfonamide
PubChem CID54062303
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name3-hydroxybutane-1-sulfonamide
SMILESCC(O)CCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(6)2-3-9(5,7)8/h4,6H,2-3H2,1H3,(H2,5,7,8)
InChIKeyYPQRXNOKACKVJB-UHFFFAOYSA-N
XLogP-0.95
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutane-1-sulfonamide?
The IUPAC name of 3-hydroxybutane-1-sulfonamide (CID 54062303) is 3-hydroxybutane-1-sulfonamide.
What is the SMILES notation for 3-hydroxybutane-1-sulfonamide?
The canonical SMILES for 3-hydroxybutane-1-sulfonamide is CC(O)CCS(N)(=O)=O.
What is the InChIKey of 3-hydroxybutane-1-sulfonamide?
The InChIKey is YPQRXNOKACKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(6)2-3-9(5,7)8/h4,6H,2-3H2,1H3,(H2,5,7,8).
What are the key properties of 3-hydroxybutane-1-sulfonamide?
3-hydroxybutane-1-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 54062303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).