4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine

C14H22FNO4S2 — CID 71131951

IUPAC4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine
SMILESCS(=O)(=O)C1=CCC(S(=O)(=O)CCC2(F)CCNCC2)C=C1
InChIInChI=1S/C14H22FNO4S2/c1-21(17,18)12-2-4-13(5-3-12)22(19,20)11-8-14(15)6-9-16-10-7-14/h2-4,13,16H,5-11H2,1H3
InChIKeyUMYIDHZULAURJZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.14
Rot. Bonds5

About 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine

4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine (PubChem CID 71131951) has the molecular formula C14H22FNO4S2 and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine
PubChem CID71131951
Molecular FormulaC14H22FNO4S2
Molecular Weight351.47 g/mol
Exact Mass351.10
IUPAC Name4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine
SMILESCS(=O)(=O)C1=CCC(S(=O)(=O)CCC2(F)CCNCC2)C=C1
InChIInChI=1S/C14H22FNO4S2/c1-21(17,18)12-2-4-13(5-3-12)22(19,20)11-8-14(15)6-9-16-10-7-14/h2-4,13,16H,5-11H2,1H3
InChIKeyUMYIDHZULAURJZ-UHFFFAOYSA-N
XLogP1.14
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]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 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine?
The IUPAC name of 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine (CID 71131951) is 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine?
The canonical SMILES for 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine is CS(=O)(=O)C1=CCC(S(=O)(=O)CCC2(F)CCNCC2)C=C1.
What is the InChIKey of 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine?
The InChIKey is UMYIDHZULAURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4S2/c1-21(17,18)12-2-4-13(5-3-12)22(19,20)11-8-14(15)6-9-16-10-7-14/h2-4,13,16H,5-11H2,1H3.
What are the key properties of 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine?
4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine has a molecular weight of 351.47 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine is sourced from PubChem (CID 71131951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).