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

C10H18N2O3S — CID 82863703

IUPAC2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCCS(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H18N2O3S/c1-2-7-16(14,15)11-5-6-12-9(8-11)3-4-10(12)13/h9H,2-8H2,1H3
InChIKeyWKKCFSNOETYYIC-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.03
Rot. Bonds3

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

2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863703) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863703
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCCS(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C10H18N2O3S/c1-2-7-16(14,15)11-5-6-12-9(8-11)3-4-10(12)13/h9H,2-8H2,1H3
InChIKeyWKKCFSNOETYYIC-UHFFFAOYSA-N
XLogP0.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863703) is 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCCS(=O)(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is WKKCFSNOETYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-7-16(14,15)11-5-6-12-9(8-11)3-4-10(12)13/h9H,2-8H2,1H3.
What are the key properties of 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-propylsulfonyl-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, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).