4-methylpentane-2-sulfonamide

C6H15NO2S — CID 54354651

IUPAC4-methylpentane-2-sulfonamide
SMILESCC(C)CC(C)S(N)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)
InChIKeyUQVRPGSMEUVEAZ-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.71
Rot. Bonds3

About 4-methylpentane-2-sulfonamide

4-methylpentane-2-sulfonamide (PubChem CID 54354651) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 4-methylpentane-2-sulfonamide.

Molecular Properties

Compound Name4-methylpentane-2-sulfonamide
PubChem CID54354651
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name4-methylpentane-2-sulfonamide
SMILESCC(C)CC(C)S(N)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)
InChIKeyUQVRPGSMEUVEAZ-UHFFFAOYSA-N
XLogP0.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methylpentane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-2-sulfonamide?
The IUPAC name of 4-methylpentane-2-sulfonamide (CID 54354651) is 4-methylpentane-2-sulfonamide.
What is the SMILES notation for 4-methylpentane-2-sulfonamide?
The canonical SMILES for 4-methylpentane-2-sulfonamide is CC(C)CC(C)S(N)(=O)=O.
What is the InChIKey of 4-methylpentane-2-sulfonamide?
The InChIKey is UQVRPGSMEUVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9).
What are the key properties of 4-methylpentane-2-sulfonamide?
4-methylpentane-2-sulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-2-sulfonamide is sourced from PubChem (CID 54354651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).