3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine

C12H23NOS — CID 62990331

IUPAC3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine
SMILESC1CNCC(CCSC2CCOCC2)C1
InChIInChI=1S/C12H23NOS/c1-2-11(10-13-6-1)5-9-15-12-3-7-14-8-4-12/h11-13H,1-10H2
InChIKeyDLURFVSPUWFKQO-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds4

About 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine

3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine (PubChem CID 62990331) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine
PubChem CID62990331
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine
SMILESC1CNCC(CCSC2CCOCC2)C1
InChIInChI=1S/C12H23NOS/c1-2-11(10-13-6-1)5-9-15-12-3-7-14-8-4-12/h11-13H,1-10H2
InChIKeyDLURFVSPUWFKQO-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(oxan-4-ylsulfanyl)ethyl]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 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
The IUPAC name of 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine (CID 62990331) is 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
The canonical SMILES for 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine is C1CNCC(CCSC2CCOCC2)C1.
What is the InChIKey of 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
The InChIKey is DLURFVSPUWFKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-2-11(10-13-6-1)5-9-15-12-3-7-14-8-4-12/h11-13H,1-10H2.
What are the key properties of 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-ylsulfanyl)ethyl]piperidine is sourced from PubChem (CID 62990331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).