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

C12H23NOS — CID 62990873

IUPAC2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine
SMILESC1CCC(CCSC2CCOCC2)NC1
InChIInChI=1S/C12H23NOS/c1-2-7-13-11(3-1)6-10-15-12-4-8-14-9-5-12/h11-13H,1-10H2
InChIKeyRLLZZMIMJVPIID-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.43
Rot. Bonds4

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

2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine (PubChem CID 62990873) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine
PubChem CID62990873
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine
SMILESC1CCC(CCSC2CCOCC2)NC1
InChIInChI=1S/C12H23NOS/c1-2-7-13-11(3-1)6-10-15-12-4-8-14-9-5-12/h11-13H,1-10H2
InChIKeyRLLZZMIMJVPIID-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
The IUPAC name of 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine (CID 62990873) is 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine is C1CCC(CCSC2CCOCC2)NC1.
What is the InChIKey of 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
The InChIKey is RLLZZMIMJVPIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-2-7-13-11(3-1)6-10-15-12-4-8-14-9-5-12/h11-13H,1-10H2.
What are the key properties of 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine?
2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine has a molecular weight of 229.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-ylsulfanyl)ethyl]piperidine is sourced from PubChem (CID 62990873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).