2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide

C11H22N2O2S — CID 97326164

IUPAC2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC[C@H]1CC=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/t11-/m0/s1
InChIKeyXBFHPLPDKJXCDY-NSHDSACASA-N
MW246.38 g/mol
LogP0.87
Rot. Bonds7

About 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide

2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide (PubChem CID 97326164) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide
PubChem CID97326164
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC[C@H]1CC=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/t11-/m0/s1
InChIKeyXBFHPLPDKJXCDY-NSHDSACASA-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-[[(1R)-cyclohex-3-en-1-yl]methylamino]-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

Related Compounds

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-ethyl-2-methylsulfonylbutan-1-amine
CID 97240117
(4-Fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
CID 143465958
N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
CID 18714020
4-(2-Aminoethyl)cyclohexene-1-sulfonamide
CID 70974426
(3E,6S)-6-methyl-8-(methylamino)octa-1,3-diene-3-sulfonamide
CID 89073975
(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide
CID 89154006
(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]oct-5-ene-1-sulfonamide
CID 89248767
(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]hexadec-9-ene-1-sulfonamide
CID 89248788
(Z)-N-[3-[3-[(3-ethyl-3-methylpentyl)amino]propylamino]propyl]dodec-7-ene-1-sulfonamide
CID 89248823
(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide
CID 89248829
5-(Aminomethyl)cyclohex-2-ene-1-sulfonamide
CID 132094592
4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide
CID 134299454

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide (CID 97326164) is 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNC[C@H]1CC=CCC1.
What is the InChIKey of 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide?
The InChIKey is XBFHPLPDKJXCDY-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide?
2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-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-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-ethylethanesulfonamide is sourced from PubChem (CID 97326164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).