4-methyl-N-propan-2-ylpentane-1-sulfonamide

C9H21NO2S — CID 121353242

IUPAC4-methyl-N-propan-2-ylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NC(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-5-7-13(11,12)10-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYAJTXPJTZIHWLY-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds6

About 4-methyl-N-propan-2-ylpentane-1-sulfonamide

4-methyl-N-propan-2-ylpentane-1-sulfonamide (PubChem CID 121353242) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylpentane-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylpentane-1-sulfonamide
PubChem CID121353242
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name4-methyl-N-propan-2-ylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NC(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)6-5-7-13(11,12)10-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyYAJTXPJTZIHWLY-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-propan-2-ylpentane-1-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-methyl-N-propan-2-ylpentane-1-sulfonamide?
The IUPAC name of 4-methyl-N-propan-2-ylpentane-1-sulfonamide (CID 121353242) is 4-methyl-N-propan-2-ylpentane-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-propan-2-ylpentane-1-sulfonamide?
The canonical SMILES for 4-methyl-N-propan-2-ylpentane-1-sulfonamide is CC(C)CCCS(=O)(=O)NC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-ylpentane-1-sulfonamide?
The InChIKey is YAJTXPJTZIHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)6-5-7-13(11,12)10-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-methyl-N-propan-2-ylpentane-1-sulfonamide?
4-methyl-N-propan-2-ylpentane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylpentane-1-sulfonamide is sourced from PubChem (CID 121353242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).