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

C11H19N3O3S — CID 82863813

IUPAC2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(S(=O)(=O)C3CCNC3)CCN12
InChIInChI=1S/C11H19N3O3S/c15-11-2-1-9-8-13(5-6-14(9)11)18(16,17)10-3-4-12-7-10/h9-10,12H,1-8H2
InChIKeyQOXMODUKOXQTIH-UHFFFAOYSA-N
MW273.36 g/mol
LogP-1.02
Rot. Bonds2

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

2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863813) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863813
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(S(=O)(=O)C3CCNC3)CCN12
InChIInChI=1S/C11H19N3O3S/c15-11-2-1-9-8-13(5-6-14(9)11)18(16,17)10-3-4-12-7-10/h9-10,12H,1-8H2
InChIKeyQOXMODUKOXQTIH-UHFFFAOYSA-N
XLogP-1.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863813) is 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(S(=O)(=O)C3CCNC3)CCN12.
What is the InChIKey of 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is QOXMODUKOXQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c15-11-2-1-9-8-13(5-6-14(9)11)18(16,17)10-3-4-12-7-10/h9-10,12H,1-8H2.
What are the key properties of 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 273.36 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).