2-(methylsulfonylmethyl)pyrazine

C6H8N2O2S — CID 67392747

IUPAC2-(methylsulfonylmethyl)pyrazine
SMILESCS(=O)(=O)Cc1cnccn1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)5-6-4-7-2-3-8-6/h2-4H,5H2,1H3
InChIKeyFLGJLJIDCAOUOI-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.02
Rot. Bonds2

About 2-(methylsulfonylmethyl)pyrazine

2-(methylsulfonylmethyl)pyrazine (PubChem CID 67392747) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)pyrazine.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)pyrazine
PubChem CID67392747
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(methylsulfonylmethyl)pyrazine
SMILESCS(=O)(=O)Cc1cnccn1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)5-6-4-7-2-3-8-6/h2-4H,5H2,1H3
InChIKeyFLGJLJIDCAOUOI-UHFFFAOYSA-N
XLogP0.02
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(methylsulfonylmethyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)pyrazine?
The IUPAC name of 2-(methylsulfonylmethyl)pyrazine (CID 67392747) is 2-(methylsulfonylmethyl)pyrazine.
What is the SMILES notation for 2-(methylsulfonylmethyl)pyrazine?
The canonical SMILES for 2-(methylsulfonylmethyl)pyrazine is CS(=O)(=O)Cc1cnccn1.
What is the InChIKey of 2-(methylsulfonylmethyl)pyrazine?
The InChIKey is FLGJLJIDCAOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-11(9,10)5-6-4-7-2-3-8-6/h2-4H,5H2,1H3.
What are the key properties of 2-(methylsulfonylmethyl)pyrazine?
2-(methylsulfonylmethyl)pyrazine has a molecular weight of 172.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)pyrazine is sourced from PubChem (CID 67392747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).