7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C13H17N3O3S — CID 162792955

IUPAC7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(S(=O)(=O)c3ccccc3)CCN2C1=O
InChIInChI=1S/C13H17N3O3S/c1-14-9-11-10-15(7-8-16(11)13(14)17)20(18,19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMIVLIADHFHVGGC-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.43
Rot. Bonds2

About 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 162792955) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID162792955
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(S(=O)(=O)c3ccccc3)CCN2C1=O
InChIInChI=1S/C13H17N3O3S/c1-14-9-11-10-15(7-8-16(11)13(14)17)20(18,19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMIVLIADHFHVGGC-UHFFFAOYSA-N
XLogP0.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91925822
4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
CID 110710854
(9aR)-2-(4-chlorophenyl)sulfonyl-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56858855
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
2-(4-aminophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856422
3-(2-methoxyphenyl)sulfonyl-6-methyl-1,2,4,4a,5,11-hexahydropyrazino[2,1-c][1,4]benzodiazepine
CID 155902200
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 162792955) is 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1CC2CN(S(=O)(=O)c3ccccc3)CCN2C1=O.
What is the InChIKey of 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is MIVLIADHFHVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-14-9-11-10-15(7-8-16(11)13(14)17)20(18,19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 295.36 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 162792955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).