2-hydroxy-3-methylbutane-1-sulfonamide

C5H13NO3S — CID 115013313

IUPAC2-hydroxy-3-methylbutane-1-sulfonamide
SMILESCC(C)C(O)CS(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-4(2)5(7)3-10(6,8)9/h4-5,7H,3H2,1-2H3,(H2,6,8,9)
InChIKeyDAMIGENVCOLVEP-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.71
Rot. Bonds3

About 2-hydroxy-3-methylbutane-1-sulfonamide

2-hydroxy-3-methylbutane-1-sulfonamide (PubChem CID 115013313) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-hydroxy-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-3-methylbutane-1-sulfonamide
PubChem CID115013313
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2-hydroxy-3-methylbutane-1-sulfonamide
SMILESCC(C)C(O)CS(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-4(2)5(7)3-10(6,8)9/h4-5,7H,3H2,1-2H3,(H2,6,8,9)
InChIKeyDAMIGENVCOLVEP-UHFFFAOYSA-N
XLogP-0.71
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbutane-1-sulfonamide?
The IUPAC name of 2-hydroxy-3-methylbutane-1-sulfonamide (CID 115013313) is 2-hydroxy-3-methylbutane-1-sulfonamide.
What is the SMILES notation for 2-hydroxy-3-methylbutane-1-sulfonamide?
The canonical SMILES for 2-hydroxy-3-methylbutane-1-sulfonamide is CC(C)C(O)CS(N)(=O)=O.
What is the InChIKey of 2-hydroxy-3-methylbutane-1-sulfonamide?
The InChIKey is DAMIGENVCOLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-4(2)5(7)3-10(6,8)9/h4-5,7H,3H2,1-2H3,(H2,6,8,9).
What are the key properties of 2-hydroxy-3-methylbutane-1-sulfonamide?
2-hydroxy-3-methylbutane-1-sulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 115013313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).