2-methyl-N-prop-2-enylpropane-1-sulfonamide

C7H15NO2S — CID 62734247

IUPAC2-methyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C7H15NO2S/c1-4-5-8-11(9,10)6-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyXQLOACJLILLKMS-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.75
Rot. Bonds5

About 2-methyl-N-prop-2-enylpropane-1-sulfonamide

2-methyl-N-prop-2-enylpropane-1-sulfonamide (PubChem CID 62734247) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpropane-1-sulfonamide
PubChem CID62734247
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C7H15NO2S/c1-4-5-8-11(9,10)6-7(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyXQLOACJLILLKMS-UHFFFAOYSA-N
XLogP0.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-prop-2-enylpropane-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 2-methyl-N-prop-2-enylpropane-1-sulfonamide?
The IUPAC name of 2-methyl-N-prop-2-enylpropane-1-sulfonamide (CID 62734247) is 2-methyl-N-prop-2-enylpropane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-prop-2-enylpropane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-prop-2-enylpropane-1-sulfonamide is C=CCNS(=O)(=O)CC(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enylpropane-1-sulfonamide?
The InChIKey is XQLOACJLILLKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-5-8-11(9,10)6-7(2)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 2-methyl-N-prop-2-enylpropane-1-sulfonamide?
2-methyl-N-prop-2-enylpropane-1-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpropane-1-sulfonamide is sourced from PubChem (CID 62734247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).