3-hydroxybutane-2-sulfonamide

C4H11NO3S — CID 130147907

IUPAC3-hydroxybutane-2-sulfonamide
SMILESCC(O)C(C)S(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-3(6)4(2)9(5,7)8/h3-4,6H,1-2H3,(H2,5,7,8)
InChIKeyXDDOQEHXGMBCCA-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.96
Rot. Bonds2

About 3-hydroxybutane-2-sulfonamide

3-hydroxybutane-2-sulfonamide (PubChem CID 130147907) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-hydroxybutane-2-sulfonamide.

Molecular Properties

Compound Name3-hydroxybutane-2-sulfonamide
PubChem CID130147907
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name3-hydroxybutane-2-sulfonamide
SMILESCC(O)C(C)S(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-3(6)4(2)9(5,7)8/h3-4,6H,1-2H3,(H2,5,7,8)
InChIKeyXDDOQEHXGMBCCA-UHFFFAOYSA-N
XLogP-0.96
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutane-2-sulfonamide?
The IUPAC name of 3-hydroxybutane-2-sulfonamide (CID 130147907) is 3-hydroxybutane-2-sulfonamide.
What is the SMILES notation for 3-hydroxybutane-2-sulfonamide?
The canonical SMILES for 3-hydroxybutane-2-sulfonamide is CC(O)C(C)S(N)(=O)=O.
What is the InChIKey of 3-hydroxybutane-2-sulfonamide?
The InChIKey is XDDOQEHXGMBCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-3(6)4(2)9(5,7)8/h3-4,6H,1-2H3,(H2,5,7,8).
What are the key properties of 3-hydroxybutane-2-sulfonamide?
3-hydroxybutane-2-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutane-2-sulfonamide is sourced from PubChem (CID 130147907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).