3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one

C11H19N3O2S — CID 113486538

IUPAC3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)CS(C)=O)c1=O
InChIInChI=1S/C11H19N3O2S/c1-4-6-14-7-5-12-10(11(14)15)13-9(2)8-17(3)16/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyHGMIGSKFUDSTIV-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.83
Rot. Bonds6

About 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one

3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one (PubChem CID 113486538) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
PubChem CID113486538
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)CS(C)=O)c1=O
InChIInChI=1S/C11H19N3O2S/c1-4-6-14-7-5-12-10(11(14)15)13-9(2)8-17(3)16/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyHGMIGSKFUDSTIV-UHFFFAOYSA-N
XLogP0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
CID 113496630
3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
CID 62927796
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
2-[1-[(3-oxo-4-propylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375283
3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
CID 62940894

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one (CID 113486538) is 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NC(C)CS(C)=O)c1=O.
What is the InChIKey of 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one?
The InChIKey is HGMIGSKFUDSTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-6-14-7-5-12-10(11(14)15)13-9(2)8-17(3)16/h5,7,9H,4,6,8H2,1-3H3,(H,12,13).
What are the key properties of 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one?
3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one has a molecular weight of 257.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 113486538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).