5-(2-methylsulfonylethyl)pyrazin-2-amine

C7H11N3O2S — CID 118045746

IUPAC5-(2-methylsulfonylethyl)pyrazin-2-amine
SMILESCS(=O)(=O)CCc1cnc(N)cn1
InChIInChI=1S/C7H11N3O2S/c1-13(11,12)3-2-6-4-10-7(8)5-9-6/h4-5H,2-3H2,1H3,(H2,8,10)
InChIKeyORIFFUBPZQJXOH-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.35
Rot. Bonds3

About 5-(2-methylsulfonylethyl)pyrazin-2-amine

5-(2-methylsulfonylethyl)pyrazin-2-amine (PubChem CID 118045746) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-(2-methylsulfonylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfonylethyl)pyrazin-2-amine
PubChem CID118045746
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name5-(2-methylsulfonylethyl)pyrazin-2-amine
SMILESCS(=O)(=O)CCc1cnc(N)cn1
InChIInChI=1S/C7H11N3O2S/c1-13(11,12)3-2-6-4-10-7(8)5-9-6/h4-5H,2-3H2,1H3,(H2,8,10)
InChIKeyORIFFUBPZQJXOH-UHFFFAOYSA-N
XLogP-0.35
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethyl)pyrazin-2-amine?
The IUPAC name of 5-(2-methylsulfonylethyl)pyrazin-2-amine (CID 118045746) is 5-(2-methylsulfonylethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(2-methylsulfonylethyl)pyrazin-2-amine?
The canonical SMILES for 5-(2-methylsulfonylethyl)pyrazin-2-amine is CS(=O)(=O)CCc1cnc(N)cn1.
What is the InChIKey of 5-(2-methylsulfonylethyl)pyrazin-2-amine?
The InChIKey is ORIFFUBPZQJXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-13(11,12)3-2-6-4-10-7(8)5-9-6/h4-5H,2-3H2,1H3,(H2,8,10).
What are the key properties of 5-(2-methylsulfonylethyl)pyrazin-2-amine?
5-(2-methylsulfonylethyl)pyrazin-2-amine has a molecular weight of 201.25 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethyl)pyrazin-2-amine is sourced from PubChem (CID 118045746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).