3-(oxan-4-ylsulfanylmethyl)piperidine

C11H21NOS — CID 62990872

IUPAC3-(oxan-4-ylsulfanylmethyl)piperidine
SMILESC1CNCC(CSC2CCOCC2)C1
InChIInChI=1S/C11H21NOS/c1-2-10(8-12-5-1)9-14-11-3-6-13-7-4-11/h10-12H,1-9H2
InChIKeyUBZLJDDIDOGWGO-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.90
Rot. Bonds3

About 3-(oxan-4-ylsulfanylmethyl)piperidine

3-(oxan-4-ylsulfanylmethyl)piperidine (PubChem CID 62990872) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-(oxan-4-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name3-(oxan-4-ylsulfanylmethyl)piperidine
PubChem CID62990872
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3-(oxan-4-ylsulfanylmethyl)piperidine
SMILESC1CNCC(CSC2CCOCC2)C1
InChIInChI=1S/C11H21NOS/c1-2-10(8-12-5-1)9-14-11-3-6-13-7-4-11/h10-12H,1-9H2
InChIKeyUBZLJDDIDOGWGO-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylsulfanylmethyl)piperidine?
The IUPAC name of 3-(oxan-4-ylsulfanylmethyl)piperidine (CID 62990872) is 3-(oxan-4-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 3-(oxan-4-ylsulfanylmethyl)piperidine?
The canonical SMILES for 3-(oxan-4-ylsulfanylmethyl)piperidine is C1CNCC(CSC2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-ylsulfanylmethyl)piperidine?
The InChIKey is UBZLJDDIDOGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-10(8-12-5-1)9-14-11-3-6-13-7-4-11/h10-12H,1-9H2.
What are the key properties of 3-(oxan-4-ylsulfanylmethyl)piperidine?
3-(oxan-4-ylsulfanylmethyl)piperidine has a molecular weight of 215.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 62990872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).