1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine

C14H23NO2S — CID 70954634

IUPAC1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCCN1CCC(C2=CC=CC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H23NO2S/c1-3-15-9-7-12(8-10-15)13-5-4-6-14(11-13)18(2,16)17/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeyUYWMKXQYKUQENU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.02
Rot. Bonds3

About 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine

1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 70954634) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID70954634
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCCN1CCC(C2=CC=CC(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H23NO2S/c1-3-15-9-7-12(8-10-15)13-5-4-6-14(11-13)18(2,16)17/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeyUYWMKXQYKUQENU-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine 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 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine (CID 70954634) is 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine is CCN1CCC(C2=CC=CC(S(C)(=O)=O)C2)CC1.
What is the InChIKey of 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is UYWMKXQYKUQENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-15-9-7-12(8-10-15)13-5-4-6-14(11-13)18(2,16)17/h4-6,12,14H,3,7-11H2,1-2H3.
What are the key properties of 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine?
1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 269.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 70954634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).