N-(4-ethylidenecyclohexyl)methanesulfonamide

C9H17NO2S — CID 71122467

IUPACN-(4-ethylidenecyclohexyl)methanesulfonamide
SMILESCC=C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H17NO2S/c1-3-8-4-6-9(7-5-8)10-13(2,11)12/h3,9-10H,4-7H2,1-2H3/b8-3-
InChIKeyULHOKTQBZUXUFR-BAQGIRSFSA-N
MW203.31 g/mol
LogP1.42
Rot. Bonds2

About N-(4-ethylidenecyclohexyl)methanesulfonamide

N-(4-ethylidenecyclohexyl)methanesulfonamide (PubChem CID 71122467) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(4-ethylidenecyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethylidenecyclohexyl)methanesulfonamide
PubChem CID71122467
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(4-ethylidenecyclohexyl)methanesulfonamide
SMILESCC=C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H17NO2S/c1-3-8-4-6-9(7-5-8)10-13(2,11)12/h3,9-10H,4-7H2,1-2H3/b8-3-
InChIKeyULHOKTQBZUXUFR-BAQGIRSFSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylidenecyclohexyl)methanesulfonamide?
The IUPAC name of N-(4-ethylidenecyclohexyl)methanesulfonamide (CID 71122467) is N-(4-ethylidenecyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(4-ethylidenecyclohexyl)methanesulfonamide?
The canonical SMILES for N-(4-ethylidenecyclohexyl)methanesulfonamide is CC=C1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-(4-ethylidenecyclohexyl)methanesulfonamide?
The InChIKey is ULHOKTQBZUXUFR-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-8-4-6-9(7-5-8)10-13(2,11)12/h3,9-10H,4-7H2,1-2H3/b8-3-.
What are the key properties of N-(4-ethylidenecyclohexyl)methanesulfonamide?
N-(4-ethylidenecyclohexyl)methanesulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylidenecyclohexyl)methanesulfonamide is sourced from PubChem (CID 71122467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).