5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid

C7H9N3O4S — CID 58376927

IUPAC5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid
SMILESCN(c1cnc(C(=O)O)cn1)S(C)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-10(15(2,13)14)6-4-8-5(3-9-6)7(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyQUTXLOQXLSBEGR-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.43
Rot. Bonds3

About 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid

5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 58376927) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid
PubChem CID58376927
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid
SMILESCN(c1cnc(C(=O)O)cn1)S(C)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-10(15(2,13)14)6-4-8-5(3-9-6)7(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyQUTXLOQXLSBEGR-UHFFFAOYSA-N
XLogP-0.43
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid (CID 58376927) is 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid is CN(c1cnc(C(=O)O)cn1)S(C)(=O)=O.
What is the InChIKey of 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is QUTXLOQXLSBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-10(15(2,13)14)6-4-8-5(3-9-6)7(11)12/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid?
5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 231.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 58376927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).