cyclohexen-1-ylmethanesulfonamide

C7H13NO2S — CID 149422579

IUPACcyclohexen-1-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1=CCCCC1
InChIInChI=1S/C7H13NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,8,9,10)
InChIKeyYTLRRCDVYBYGEZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.78
Rot. Bonds2

About cyclohexen-1-ylmethanesulfonamide

cyclohexen-1-ylmethanesulfonamide (PubChem CID 149422579) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is cyclohexen-1-ylmethanesulfonamide.

Molecular Properties

Compound Namecyclohexen-1-ylmethanesulfonamide
PubChem CID149422579
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Namecyclohexen-1-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1=CCCCC1
InChIInChI=1S/C7H13NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,8,9,10)
InChIKeyYTLRRCDVYBYGEZ-UHFFFAOYSA-N
XLogP0.78
TPSA60.16 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 ≤ 50.78
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 cyclohexen-1-ylmethanesulfonamide?
The IUPAC name of cyclohexen-1-ylmethanesulfonamide (CID 149422579) is cyclohexen-1-ylmethanesulfonamide.
What is the SMILES notation for cyclohexen-1-ylmethanesulfonamide?
The canonical SMILES for cyclohexen-1-ylmethanesulfonamide is NS(=O)(=O)CC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethanesulfonamide?
The InChIKey is YTLRRCDVYBYGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,8,9,10).
What are the key properties of cyclohexen-1-ylmethanesulfonamide?
cyclohexen-1-ylmethanesulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethanesulfonamide is sourced from PubChem (CID 149422579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).