1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide

C12H23NO2S — CID 115628719

IUPAC1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide
SMILESC/C=C/CCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-3-7-10-13-16(14,15)11-12-8-5-4-6-9-12/h2-3,12-13H,4-11H2,1H3/b3-2+
InChIKeyYEQXXLRMYMVQCR-NSCUHMNNSA-N
MW245.39 g/mol
LogP2.45
Rot. Bonds6

About 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide

1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide (PubChem CID 115628719) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide
PubChem CID115628719
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide
SMILESC/C=C/CCNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-3-7-10-13-16(14,15)11-12-8-5-4-6-9-12/h2-3,12-13H,4-11H2,1H3/b3-2+
InChIKeyYEQXXLRMYMVQCR-NSCUHMNNSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide 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-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
CID 18714020
N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
CID 58760675
N-cyclooct-2-en-1-yl-4-methylcyclohexane-1-sulfonamide
CID 72415444
3-ethenyl-N-methylcyclohexane-1-sulfonamide
CID 130367772
2-(8H-benzo[7]annulen-7-yl)-N-(cyclohexylmethyl)propane-1-sulfonamide
CID 141984065
N,6-dimethylcyclohex-2-ene-1-sulfonamide
CID 144457940
(E)-5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
CID 153306892
5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
CID 159070929
N-ethyl-4-methylcyclohexene-1-sulfonamide
CID 163457925
N-(2-aminoethyl)-4-cyclohexa-1,5-dien-1-ylcyclohex-2-ene-1-sulfonamide
CID 167138479
(R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide
CID 56969752
N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
CID 61808806

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide (CID 115628719) is 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide is C/C=C/CCNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide?
The InChIKey is YEQXXLRMYMVQCR-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-3-7-10-13-16(14,15)11-12-8-5-4-6-9-12/h2-3,12-13H,4-11H2,1H3/b3-2+.
What are the key properties of 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide?
1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide has a molecular weight of 245.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide is sourced from PubChem (CID 115628719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).