2-(2-methylsulfonylethyl)pyrazine

C7H10N2O2S — CID 102287651

IUPAC2-(2-methylsulfonylethyl)pyrazine
SMILESCS(=O)(=O)CCc1cnccn1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)5-2-7-6-8-3-4-9-7/h3-4,6H,2,5H2,1H3
InChIKeyUALDPTCKJSUVJM-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.06
Rot. Bonds3

About 2-(2-methylsulfonylethyl)pyrazine

2-(2-methylsulfonylethyl)pyrazine (PubChem CID 102287651) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)pyrazine.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)pyrazine
PubChem CID102287651
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(2-methylsulfonylethyl)pyrazine
SMILESCS(=O)(=O)CCc1cnccn1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)5-2-7-6-8-3-4-9-7/h3-4,6H,2,5H2,1H3
InChIKeyUALDPTCKJSUVJM-UHFFFAOYSA-N
XLogP0.06
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
CID 62605954
N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263
1-pyrazin-2-ylhexan-3-one
CID 64504751
2-amino-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 116552025
2-(4-chlorobutyl)pyrazine
CID 54142215
4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
CID 62112810
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
2-[2-(4-methylphenyl)ethyl]pyrazine
CID 141390825
2-(2-isocyanatoethyl)pyrazine
CID 119084073
N'-hydroxy-3-pyrazin-2-ylpropanimidamide
CID 164644111
5-pyrazin-2-ylpentanoic acid
CID 22934386
2-(iodomethyl)pyrazine
CID 21189711

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)pyrazine?
The IUPAC name of 2-(2-methylsulfonylethyl)pyrazine (CID 102287651) is 2-(2-methylsulfonylethyl)pyrazine.
What is the SMILES notation for 2-(2-methylsulfonylethyl)pyrazine?
The canonical SMILES for 2-(2-methylsulfonylethyl)pyrazine is CS(=O)(=O)CCc1cnccn1.
What is the InChIKey of 2-(2-methylsulfonylethyl)pyrazine?
The InChIKey is UALDPTCKJSUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12(10,11)5-2-7-6-8-3-4-9-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-(2-methylsulfonylethyl)pyrazine?
2-(2-methylsulfonylethyl)pyrazine has a molecular weight of 186.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)pyrazine is sourced from PubChem (CID 102287651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).