N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide

C6H9N3O3S — CID 130650649

IUPACN-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide
SMILESCn1ccnc(NS(C)(=O)=O)c1=O
InChIInChI=1S/C6H9N3O3S/c1-9-4-3-7-5(6(9)10)8-13(2,11)12/h3-4H,1-2H3,(H,7,8)
InChIKeyOWURQCDSZRIPMK-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.85
Rot. Bonds2

About N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide

N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide (PubChem CID 130650649) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide
PubChem CID130650649
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC NameN-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide
SMILESCn1ccnc(NS(C)(=O)=O)c1=O
InChIInChI=1S/C6H9N3O3S/c1-9-4-3-7-5(6(9)10)8-13(2,11)12/h3-4H,1-2H3,(H,7,8)
InChIKeyOWURQCDSZRIPMK-UHFFFAOYSA-N
XLogP-0.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide?
The IUPAC name of N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide (CID 130650649) is N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide is Cn1ccnc(NS(C)(=O)=O)c1=O.
What is the InChIKey of N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide?
The InChIKey is OWURQCDSZRIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-9-4-3-7-5(6(9)10)8-13(2,11)12/h3-4H,1-2H3,(H,7,8).
What are the key properties of N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide?
N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide has a molecular weight of 203.22 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxopyrazin-2-yl)methanesulfonamide is sourced from PubChem (CID 130650649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).