N-(3-methylidenecyclohexyl)ethanesulfonamide

C9H17NO2S — CID 90805781

IUPACN-(3-methylidenecyclohexyl)ethanesulfonamide
SMILESC=C1CCCC(NS(=O)(=O)CC)C1
InChIInChI=1S/C9H17NO2S/c1-3-13(11,12)10-9-6-4-5-8(2)7-9/h9-10H,2-7H2,1H3
InChIKeyKEYZZYQZPGVEOD-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.42
Rot. Bonds3

About N-(3-methylidenecyclohexyl)ethanesulfonamide

N-(3-methylidenecyclohexyl)ethanesulfonamide (PubChem CID 90805781) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(3-methylidenecyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylidenecyclohexyl)ethanesulfonamide
PubChem CID90805781
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(3-methylidenecyclohexyl)ethanesulfonamide
SMILESC=C1CCCC(NS(=O)(=O)CC)C1
InChIInChI=1S/C9H17NO2S/c1-3-13(11,12)10-9-6-4-5-8(2)7-9/h9-10H,2-7H2,1H3
InChIKeyKEYZZYQZPGVEOD-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methylidenecyclohexyl)ethanesulfonamide 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-fluoro-4-methylidenecyclohexyl)methanesulfonamide
CID 91004606
2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide
CID 91027303
N-(5-methylhex-5-enyl)methanesulfonamide
CID 23563453
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467
N-(4-methylidenecyclohexyl)propane-2-sulfinamide
CID 89215029
7-(Methylsulfonylmethyl)oct-7-en-3-amine
CID 89357472
N-(3-methylidenecyclohexyl)propane-2-sulfonamide
CID 90710783
N-(2-methylidenecyclohexyl)methanesulfonamide
CID 91087839
N-(4-methylidenecyclohexyl)methanesulfonamide
CID 91298182
N-butyl-4-methylidenecyclohexane-1-sulfonamide
CID 91371408
N-(3-methylidenecyclohexyl)methanesulfonamide
CID 91471248
N-ethyl-3-methylidenecyclohexane-1-sulfonamide
CID 91571228

Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenecyclohexyl)ethanesulfonamide?
The IUPAC name of N-(3-methylidenecyclohexyl)ethanesulfonamide (CID 90805781) is N-(3-methylidenecyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(3-methylidenecyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(3-methylidenecyclohexyl)ethanesulfonamide is C=C1CCCC(NS(=O)(=O)CC)C1.
What is the InChIKey of N-(3-methylidenecyclohexyl)ethanesulfonamide?
The InChIKey is KEYZZYQZPGVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-13(11,12)10-9-6-4-5-8(2)7-9/h9-10H,2-7H2,1H3.
What are the key properties of N-(3-methylidenecyclohexyl)ethanesulfonamide?
N-(3-methylidenecyclohexyl)ethanesulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenecyclohexyl)ethanesulfonamide is sourced from PubChem (CID 90805781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).