7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H20N4O4S — CID 79091669

IUPAC7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H20N4O4S/c1-20(18,19)5-2-9(12)10(16)14-3-4-15-8(7-14)6-13-11(15)17/h8-9H,2-7,12H2,1H3,(H,13,17)
InChIKeyOUMKWLFYHULVSJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP-2.02
Rot. Bonds4

About 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091669) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091669
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H20N4O4S/c1-20(18,19)5-2-9(12)10(16)14-3-4-15-8(7-14)6-13-11(15)17/h8-9H,2-7,12H2,1H3,(H,13,17)
InChIKeyOUMKWLFYHULVSJ-UHFFFAOYSA-N
XLogP-2.02
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091669) is 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CS(=O)(=O)CCC(N)C(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OUMKWLFYHULVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-20(18,19)5-2-9(12)10(16)14-3-4-15-8(7-14)6-13-11(15)17/h8-9H,2-7,12H2,1H3,(H,13,17).
What are the key properties of 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 304.37 g/mol, XLogP of -2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4-methylsulfonylbutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).