1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide

C9H14N2O2S — CID 103850356

IUPAC1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCC1CC=CCC1
InChIInChI=1S/C9H14N2O2S/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-5,7-8H2
InChIKeyURRSUPDGMAWLEQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.79
Rot. Bonds4

About 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide

1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide (PubChem CID 103850356) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
PubChem CID103850356
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCC1CC=CCC1
InChIInChI=1S/C9H14N2O2S/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-5,7-8H2
InChIKeyURRSUPDGMAWLEQ-UHFFFAOYSA-N
XLogP0.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.79
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-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide (CID 103850356) is 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide is N#CCS(=O)(=O)NCC1CC=CCC1.
What is the InChIKey of 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The InChIKey is URRSUPDGMAWLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-5,7-8H2.
What are the key properties of 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide is sourced from PubChem (CID 103850356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).