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

C10H20N2O2S — CID 102674952

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-11-15(13,14)8-7-12-9-10-5-3-2-4-6-10/h2-3,10-12H,4-9H2,1H3
InChIKeyUKOLVRZOZABIPK-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.48
Rot. Bonds6

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

2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide (PubChem CID 102674952) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide
PubChem CID102674952
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-11-15(13,14)8-7-12-9-10-5-3-2-4-6-10/h2-3,10-12H,4-9H2,1H3
InChIKeyUKOLVRZOZABIPK-UHFFFAOYSA-N
XLogP0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.48
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-methylethanesulfonamide 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-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide (CID 102674952) is 2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide?
The InChIKey is UKOLVRZOZABIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11-15(13,14)8-7-12-9-10-5-3-2-4-6-10/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide?
2-(cyclohex-3-en-1-ylmethylamino)-N-methylethanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.48, 6 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-methylethanesulfonamide is sourced from PubChem (CID 102674952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).