N-cyclohex-2-en-1-ylmethanesulfonamide

C7H13NO2S — CID 71379088

IUPACN-cyclohex-2-en-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyBQPJUVCUAXUCIK-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.64
Rot. Bonds2

About N-cyclohex-2-en-1-ylmethanesulfonamide

N-cyclohex-2-en-1-ylmethanesulfonamide (PubChem CID 71379088) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylmethanesulfonamide
PubChem CID71379088
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-cyclohex-2-en-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h3,5,7-8H,2,4,6H2,1H3
InChIKeyBQPJUVCUAXUCIK-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.64
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-cyclohex-2-en-1-ylmethanesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-ylmethanesulfonamide (CID 71379088) is N-cyclohex-2-en-1-ylmethanesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-ylmethanesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-ylmethanesulfonamide is CS(=O)(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylmethanesulfonamide?
The InChIKey is BQPJUVCUAXUCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of N-cyclohex-2-en-1-ylmethanesulfonamide?
N-cyclohex-2-en-1-ylmethanesulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylmethanesulfonamide is sourced from PubChem (CID 71379088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).