2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine

C18H31NO3S — CID 156650294

IUPAC2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine
SMILESCS(=O)(=O)C1CCC(C2CCCC(/C=C/C3CCOC3)N2)CC1
InChIInChI=1S/C18H31NO3S/c1-23(20,21)17-9-6-15(7-10-17)18-4-2-3-16(19-18)8-5-14-11-12-22-13-14/h5,8,14-19H,2-4,6-7,9-13H2,1H3/b8-5+
InChIKeyNXYPATVMRFTKSV-VMPITWQZSA-N
MW341.52 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine

2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine (PubChem CID 156650294) has the molecular formula C18H31NO3S and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine.

Molecular Properties

Compound Name2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine
PubChem CID156650294
Molecular FormulaC18H31NO3S
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Name2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine
SMILESCS(=O)(=O)C1CCC(C2CCCC(/C=C/C3CCOC3)N2)CC1
InChIInChI=1S/C18H31NO3S/c1-23(20,21)17-9-6-15(7-10-17)18-4-2-3-16(19-18)8-5-14-11-12-22-13-14/h5,8,14-19H,2-4,6-7,9-13H2,1H3/b8-5+
InChIKeyNXYPATVMRFTKSV-VMPITWQZSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methylsulfonylcyclohexyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]piperidine
CID 166020141
2-(4-methylsulfonylcyclohexyl)-6-[(Z)-2-(oxolan-3-yl)ethenyl]piperidine
CID 166020168

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine?
The IUPAC name of 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine (CID 156650294) is 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine.
What is the SMILES notation for 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine?
The canonical SMILES for 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine is CS(=O)(=O)C1CCC(C2CCCC(/C=C/C3CCOC3)N2)CC1.
What is the InChIKey of 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine?
The InChIKey is NXYPATVMRFTKSV-VMPITWQZSA-N. The full InChI is InChI=1S/C18H31NO3S/c1-23(20,21)17-9-6-15(7-10-17)18-4-2-3-16(19-18)8-5-14-11-12-22-13-14/h5,8,14-19H,2-4,6-7,9-13H2,1H3/b8-5+.
What are the key properties of 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine?
2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine has a molecular weight of 341.52 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylcyclohexyl)-6-[(E)-2-(oxolan-3-yl)ethenyl]piperidine is sourced from PubChem (CID 156650294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).