2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C10H18N2O3S — CID 44588406

IUPAC2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C)S(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H18N2O3S/c1-8(2)16(14,15)11-5-6-12-9(7-11)3-4-10(12)13/h8-9H,3-7H2,1-2H3
InChIKeyHJSZPMUUGJDPPW-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.03
Rot. Bonds2

About 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 44588406) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID44588406
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C)S(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H18N2O3S/c1-8(2)16(14,15)11-5-6-12-9(7-11)3-4-10(12)13/h8-9H,3-7H2,1-2H3
InChIKeyHJSZPMUUGJDPPW-UHFFFAOYSA-N
XLogP0.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-Methylsulfonylpiperidin-2-yl)methyl]pyrrolidin-2-one
CID 132282805
4-Pyrrolidin-1-ylsulfonyl-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 136519513
8a-(Ethyldisulfanyl)-2,3-dimethyl-3,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 322183
[4-(2,2-Difluoroethyl)piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 49070529
(1-Butylsulfonylpyrrolidin-2-yl)-[4-(2,2-difluoroethyl)piperazin-1-yl]methanone
CID 49093145
1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713031
1-[2-(2-Methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713184
1-[2-(2-Ethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713204
3-(Ethyldisulfanyl)-2,3-dimethyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 322182
1-(1-Butylsulfonylpiperidin-3-yl)pyrrolidin-2-one
CID 53608436
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-1-yl]ethanone
CID 72132694
(3aR,7aS)-4-(cyclopropylmethyl)-1-ethylsulfonyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 125249822

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 44588406) is 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(C)S(=O)(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is HJSZPMUUGJDPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-8(2)16(14,15)11-5-6-12-9(7-11)3-4-10(12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 246.33 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 44588406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).