2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide

C11H22N2O2S — CID 75431559

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C11H22N2O2S/c1-2-13-16(14,15)9-8-12-10-11-6-4-3-5-7-11/h3-4,11-13H,2,5-10H2,1H3
InChIKeyXBFHPLPDKJXCDY-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.87
Rot. Bonds7

About 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide

2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide (PubChem CID 75431559) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide
PubChem CID75431559
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C11H22N2O2S/c1-2-13-16(14,15)9-8-12-10-11-6-4-3-5-7-11/h3-4,11-13H,2,5-10H2,1H3
InChIKeyXBFHPLPDKJXCDY-UHFFFAOYSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide 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-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide (CID 75431559) is 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide?
The InChIKey is XBFHPLPDKJXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-13-16(14,15)9-8-12-10-11-6-4-3-5-7-11/h3-4,11-13H,2,5-10H2,1H3.
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide?
2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylethanesulfonamide is sourced from PubChem (CID 75431559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).