1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide

C10H16N2O2S — CID 55206617

IUPAC1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C10H16N2O2S/c11-7-9-15(13,14)12-8-6-10-4-2-1-3-5-10/h4,12H,1-3,5-6,8-9H2
InChIKeyPICBJUFJULHNEA-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.32
Rot. Bonds5

About 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide

1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide (PubChem CID 55206617) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
PubChem CID55206617
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C10H16N2O2S/c11-7-9-15(13,14)12-8-6-10-4-2-1-3-5-10/h4,12H,1-3,5-6,8-9H2
InChIKeyPICBJUFJULHNEA-UHFFFAOYSA-N
XLogP1.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide (CID 55206617) is 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide is N#CCS(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The InChIKey is PICBJUFJULHNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-7-9-15(13,14)12-8-6-10-4-2-1-3-5-10/h4,12H,1-3,5-6,8-9H2.
What are the key properties of 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 55206617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).