4-(oxan-4-ylsulfanylmethyl)piperidine

C11H21NOS — CID 62990871

IUPAC4-(oxan-4-ylsulfanylmethyl)piperidine
SMILESC1CC(CSC2CCOCC2)CCN1
InChIInChI=1S/C11H21NOS/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11/h10-12H,1-9H2
InChIKeyUDFCSLJVIYEDBE-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.90
Rot. Bonds3

About 4-(oxan-4-ylsulfanylmethyl)piperidine

4-(oxan-4-ylsulfanylmethyl)piperidine (PubChem CID 62990871) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanylmethyl)piperidine
PubChem CID62990871
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-(oxan-4-ylsulfanylmethyl)piperidine
SMILESC1CC(CSC2CCOCC2)CCN1
InChIInChI=1S/C11H21NOS/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11/h10-12H,1-9H2
InChIKeyUDFCSLJVIYEDBE-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 4-(oxan-4-ylsulfanylmethyl)piperidine?
The IUPAC name of 4-(oxan-4-ylsulfanylmethyl)piperidine (CID 62990871) is 4-(oxan-4-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-(oxan-4-ylsulfanylmethyl)piperidine?
The canonical SMILES for 4-(oxan-4-ylsulfanylmethyl)piperidine is C1CC(CSC2CCOCC2)CCN1.
What is the InChIKey of 4-(oxan-4-ylsulfanylmethyl)piperidine?
The InChIKey is UDFCSLJVIYEDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11/h10-12H,1-9H2.
What are the key properties of 4-(oxan-4-ylsulfanylmethyl)piperidine?
4-(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 4-(oxan-4-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 62990871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).