3-ethenyl-N-methylcyclohexane-1-sulfonamide

C9H17NO2S — CID 130367772

IUPAC3-ethenyl-N-methylcyclohexane-1-sulfonamide
SMILESC=CC1CCCC(S(=O)(=O)NC)C1
InChIInChI=1S/C9H17NO2S/c1-3-8-5-4-6-9(7-8)13(11,12)10-2/h3,8-10H,1,4-7H2,2H3
InChIKeyGXEYYCNXVJSYCL-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.28
Rot. Bonds3

About 3-ethenyl-N-methylcyclohexane-1-sulfonamide

3-ethenyl-N-methylcyclohexane-1-sulfonamide (PubChem CID 130367772) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-ethenyl-N-methylcyclohexane-1-sulfonamide.

Molecular Properties

Compound Name3-ethenyl-N-methylcyclohexane-1-sulfonamide
PubChem CID130367772
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-ethenyl-N-methylcyclohexane-1-sulfonamide
SMILESC=CC1CCCC(S(=O)(=O)NC)C1
InChIInChI=1S/C9H17NO2S/c1-3-8-5-4-6-9(7-8)13(11,12)10-2/h3,8-10H,1,4-7H2,2H3
InChIKeyGXEYYCNXVJSYCL-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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 3-ethenyl-N-methylcyclohexane-1-sulfonamide?
The IUPAC name of 3-ethenyl-N-methylcyclohexane-1-sulfonamide (CID 130367772) is 3-ethenyl-N-methylcyclohexane-1-sulfonamide.
What is the SMILES notation for 3-ethenyl-N-methylcyclohexane-1-sulfonamide?
The canonical SMILES for 3-ethenyl-N-methylcyclohexane-1-sulfonamide is C=CC1CCCC(S(=O)(=O)NC)C1.
What is the InChIKey of 3-ethenyl-N-methylcyclohexane-1-sulfonamide?
The InChIKey is GXEYYCNXVJSYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-8-5-4-6-9(7-8)13(11,12)10-2/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 3-ethenyl-N-methylcyclohexane-1-sulfonamide?
3-ethenyl-N-methylcyclohexane-1-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-methylcyclohexane-1-sulfonamide is sourced from PubChem (CID 130367772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).