2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C14H15F3N2O3S — CID 66866654

IUPAC2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCN12
InChIInChI=1S/C14H15F3N2O3S/c15-14(16,17)11-3-1-2-4-12(11)23(21,22)18-7-8-19-10(9-18)5-6-13(19)20/h1-4,10H,5-9H2
InChIKeyBSNPGYZAHDBGIB-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.70
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 66866654) has the molecular formula C14H15F3N2O3S and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID66866654
Molecular FormulaC14H15F3N2O3S
Molecular Weight348.35 g/mol
Exact Mass348.08
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCN12
InChIInChI=1S/C14H15F3N2O3S/c15-14(16,17)11-3-1-2-4-12(11)23(21,22)18-7-8-19-10(9-18)5-6-13(19)20/h1-4,10H,5-9H2
InChIKeyBSNPGYZAHDBGIB-UHFFFAOYSA-N
XLogP1.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 66866654) is 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCN12.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is BSNPGYZAHDBGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S/c15-14(16,17)11-3-1-2-4-12(11)23(21,22)18-7-8-19-10(9-18)5-6-13(19)20/h1-4,10H,5-9H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 348.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 66866654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).