2-(oxolan-2-ylmethylsulfanyl)pyridine

C10H13NOS — CID 3318026

IUPAC2-(oxolan-2-ylmethylsulfanyl)pyridine
SMILESc1ccc(SCC2CCCO2)nc1
InChIInChI=1S/C10H13NOS/c1-2-6-11-10(5-1)13-8-9-4-3-7-12-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyFJLLOUYSNCCMCE-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.35
Rot. Bonds3

About 2-(oxolan-2-ylmethylsulfanyl)pyridine

2-(oxolan-2-ylmethylsulfanyl)pyridine (PubChem CID 3318026) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)pyridine
PubChem CID3318026
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)pyridine
SMILESc1ccc(SCC2CCCO2)nc1
InChIInChI=1S/C10H13NOS/c1-2-6-11-10(5-1)13-8-9-4-3-7-12-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyFJLLOUYSNCCMCE-UHFFFAOYSA-N
XLogP2.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)pyridine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)pyridine (CID 3318026) is 2-(oxolan-2-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)pyridine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)pyridine is c1ccc(SCC2CCCO2)nc1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)pyridine?
The InChIKey is FJLLOUYSNCCMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-6-11-10(5-1)13-8-9-4-3-7-12-9/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)pyridine?
2-(oxolan-2-ylmethylsulfanyl)pyridine has a molecular weight of 195.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 3318026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).