1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one

C10H17N3O2S — CID 115689371

IUPAC1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
SMILESCC(CCS(C)=O)Nc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O2S/c1-8(4-7-16(3)15)12-9-10(14)13(2)6-5-11-9/h5-6,8H,4,7H2,1-3H3,(H,11,12)
InChIKeyQVXWHXBIHBEWLU-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.35
Rot. Bonds5

About 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one

1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one (PubChem CID 115689371) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
PubChem CID115689371
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
SMILESCC(CCS(C)=O)Nc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O2S/c1-8(4-7-16(3)15)12-9-10(14)13(2)6-5-11-9/h5-6,8H,4,7H2,1-3H3,(H,11,12)
InChIKeyQVXWHXBIHBEWLU-UHFFFAOYSA-N
XLogP0.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
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3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
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3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
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3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
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3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
CID 130892545
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one (CID 115689371) is 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one is CC(CCS(C)=O)Nc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one?
The InChIKey is QVXWHXBIHBEWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8(4-7-16(3)15)12-9-10(14)13(2)6-5-11-9/h5-6,8H,4,7H2,1-3H3,(H,11,12).
What are the key properties of 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one?
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one has a molecular weight of 243.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 115689371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).