N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide

C13H24N2O2S — CID 70786659

IUPACN-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c1-18(16,17)14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-3,12-14H,4-11H2,1H3
InChIKeyHOJRFIATRBGGDR-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.36
Rot. Bonds4

About N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide

N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide (PubChem CID 70786659) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide
PubChem CID70786659
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c1-18(16,17)14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-3,12-14H,4-11H2,1H3
InChIKeyHOJRFIATRBGGDR-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide (CID 70786659) is N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is HOJRFIATRBGGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-18(16,17)14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-3,12-14H,4-11H2,1H3.
What are the key properties of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide?
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 272.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 70786659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).