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

C9H15N3O2S — CID 115715184

IUPAC3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(CCS(C)=O)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2S/c1-7(3-6-15(2)14)12-8-9(13)11-5-4-10-8/h4-5,7H,3,6H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyOMTOTGIVQXONOP-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.34
Rot. Bonds5

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

3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one (PubChem CID 115715184) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
PubChem CID115715184
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(CCS(C)=O)Nc1ncc[nH]c1=O
InChIInChI=1S/C9H15N3O2S/c1-7(3-6-15(2)14)12-8-9(13)11-5-4-10-8/h4-5,7H,3,6H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyOMTOTGIVQXONOP-UHFFFAOYSA-N
XLogP0.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
CID 114571495
3-(1-methylsulfonylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657583
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
CID 115685000
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657160
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
N,N-dimethyl-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 115898862
N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 113260876
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731
3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114570963
3-[(1-chloro-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114571361

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one (CID 115715184) is 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one is CC(CCS(C)=O)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one?
The InChIKey is OMTOTGIVQXONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7(3-6-15(2)14)12-8-9(13)11-5-4-10-8/h4-5,7H,3,6H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one?
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one has a molecular weight of 229.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 115715184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).