2-(methylsulfinylmethyl)pyridine

C7H9NOS — CID 12735670

IUPAC2-(methylsulfinylmethyl)pyridine
SMILESCS(=O)Cc1ccccn1
InChIInChI=1S/C7H9NOS/c1-10(9)6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
InChIKeyPMKSHWKRXZNJTK-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.96
Rot. Bonds2

About 2-(methylsulfinylmethyl)pyridine

2-(methylsulfinylmethyl)pyridine (PubChem CID 12735670) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-(methylsulfinylmethyl)pyridine.

Molecular Properties

Compound Name2-(methylsulfinylmethyl)pyridine
PubChem CID12735670
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-(methylsulfinylmethyl)pyridine
SMILESCS(=O)Cc1ccccn1
InChIInChI=1S/C7H9NOS/c1-10(9)6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
InChIKeyPMKSHWKRXZNJTK-UHFFFAOYSA-N
XLogP0.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfinylmethyl)pyridine?
The IUPAC name of 2-(methylsulfinylmethyl)pyridine (CID 12735670) is 2-(methylsulfinylmethyl)pyridine.
What is the SMILES notation for 2-(methylsulfinylmethyl)pyridine?
The canonical SMILES for 2-(methylsulfinylmethyl)pyridine is CS(=O)Cc1ccccn1.
What is the InChIKey of 2-(methylsulfinylmethyl)pyridine?
The InChIKey is PMKSHWKRXZNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10(9)6-7-4-2-3-5-8-7/h2-5H,6H2,1H3.
What are the key properties of 2-(methylsulfinylmethyl)pyridine?
2-(methylsulfinylmethyl)pyridine has a molecular weight of 155.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfinylmethyl)pyridine is sourced from PubChem (CID 12735670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).