N-ethylpent-3-ene-1-sulfonamide

C7H15NO2S — CID 174075498

IUPACN-ethylpent-3-ene-1-sulfonamide
SMILESCC=CCCS(=O)(=O)NCC
InChIInChI=1S/C7H15NO2S/c1-3-5-6-7-11(9,10)8-4-2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyKPIBEHJVCXOHJV-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.89
Rot. Bonds5

About N-ethylpent-3-ene-1-sulfonamide

N-ethylpent-3-ene-1-sulfonamide (PubChem CID 174075498) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-ethylpent-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-ethylpent-3-ene-1-sulfonamide
PubChem CID174075498
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-ethylpent-3-ene-1-sulfonamide
SMILESCC=CCCS(=O)(=O)NCC
InChIInChI=1S/C7H15NO2S/c1-3-5-6-7-11(9,10)8-4-2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyKPIBEHJVCXOHJV-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethylpent-3-ene-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 N-ethylpent-3-ene-1-sulfonamide?
The IUPAC name of N-ethylpent-3-ene-1-sulfonamide (CID 174075498) is N-ethylpent-3-ene-1-sulfonamide.
What is the SMILES notation for N-ethylpent-3-ene-1-sulfonamide?
The canonical SMILES for N-ethylpent-3-ene-1-sulfonamide is CC=CCCS(=O)(=O)NCC.
What is the InChIKey of N-ethylpent-3-ene-1-sulfonamide?
The InChIKey is KPIBEHJVCXOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-5-6-7-11(9,10)8-4-2/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of N-ethylpent-3-ene-1-sulfonamide?
N-ethylpent-3-ene-1-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpent-3-ene-1-sulfonamide is sourced from PubChem (CID 174075498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).