N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide

C9H15N3O2S — CID 58092117

IUPACN-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide
SMILESCc1nc(C)c(CNS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O2S/c1-6-7(2)12-9(8(3)11-6)5-10-15(4,13)14/h10H,5H2,1-4H3
InChIKeyCOODRKDZHUZGRA-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.45
Rot. Bonds3

About N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide

N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide (PubChem CID 58092117) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide
PubChem CID58092117
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide
SMILESCc1nc(C)c(CNS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O2S/c1-6-7(2)12-9(8(3)11-6)5-10-15(4,13)14/h10H,5H2,1-4H3
InChIKeyCOODRKDZHUZGRA-UHFFFAOYSA-N
XLogP0.45
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide (CID 58092117) is N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide is Cc1nc(C)c(CNS(C)(=O)=O)nc1C.
What is the InChIKey of N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide?
The InChIKey is COODRKDZHUZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-7(2)12-9(8(3)11-6)5-10-15(4,13)14/h10H,5H2,1-4H3.
What are the key properties of N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide?
N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 58092117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).