3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one

C10H11NO2S — CID 59382501

IUPAC3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one
SMILESCc1ccc(SC2CCOC2=O)nc1
InChIInChI=1S/C10H11NO2S/c1-7-2-3-9(11-6-7)14-8-4-5-13-10(8)12/h2-3,6,8H,4-5H2,1H3
InChIKeyJNDKLCNANLJRJZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.80
Rot. Bonds2

About 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one

3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one (PubChem CID 59382501) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one
PubChem CID59382501
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one
SMILESCc1ccc(SC2CCOC2=O)nc1
InChIInChI=1S/C10H11NO2S/c1-7-2-3-9(11-6-7)14-8-4-5-13-10(8)12/h2-3,6,8H,4-5H2,1H3
InChIKeyJNDKLCNANLJRJZ-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one (CID 59382501) is 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one is Cc1ccc(SC2CCOC2=O)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one?
The InChIKey is JNDKLCNANLJRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7-2-3-9(11-6-7)14-8-4-5-13-10(8)12/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one?
3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one has a molecular weight of 209.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 59382501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).