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

C9H17NO2S — CID 3246760

IUPACN-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3
InChIKeyXYVBRYYVZLGPMT-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.43
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide (PubChem CID 3246760) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
PubChem CID3246760
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3
InChIKeyXYVBRYYVZLGPMT-UHFFFAOYSA-N
XLogP1.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]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-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide (CID 3246760) is N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The InChIKey is XYVBRYYVZLGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 3246760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).