1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one

C9H15N3O3S — CID 64642834

IUPAC1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
SMILESCC(CS(C)(=O)=O)Nc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O3S/c1-7(6-16(3,14)15)11-8-9(13)12(2)5-4-10-8/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyLPZPRJHZLQMHNU-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.37
Rot. Bonds4

About 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one

1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one (PubChem CID 64642834) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
PubChem CID64642834
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
SMILESCC(CS(C)(=O)=O)Nc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O3S/c1-7(6-16(3,14)15)11-8-9(13)12(2)5-4-10-8/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyLPZPRJHZLQMHNU-UHFFFAOYSA-N
XLogP-0.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one (CID 64642834) is 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one is CC(CS(C)(=O)=O)Nc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one?
The InChIKey is LPZPRJHZLQMHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7(6-16(3,14)15)11-8-9(13)12(2)5-4-10-8/h4-5,7H,6H2,1-3H3,(H,10,11).
What are the key properties of 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one?
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one has a molecular weight of 245.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 64642834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).