2-methyl-N-pentylpropane-2-sulfonamide

C9H21NO2S — CID 59582619

IUPAC2-methyl-N-pentylpropane-2-sulfonamide
SMILESCCCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-5-6-7-8-10-13(11,12)9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyQNOBKZYNDGAOKT-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-N-pentylpropane-2-sulfonamide

2-methyl-N-pentylpropane-2-sulfonamide (PubChem CID 59582619) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-methyl-N-pentylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-pentylpropane-2-sulfonamide
PubChem CID59582619
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-methyl-N-pentylpropane-2-sulfonamide
SMILESCCCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-5-6-7-8-10-13(11,12)9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyQNOBKZYNDGAOKT-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-pentylpropane-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 2-methyl-N-pentylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-pentylpropane-2-sulfonamide (CID 59582619) is 2-methyl-N-pentylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-pentylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-pentylpropane-2-sulfonamide is CCCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-pentylpropane-2-sulfonamide?
The InChIKey is QNOBKZYNDGAOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-6-7-8-10-13(11,12)9(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-pentylpropane-2-sulfonamide?
2-methyl-N-pentylpropane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentylpropane-2-sulfonamide is sourced from PubChem (CID 59582619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).