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

C11H20N4O3S — CID 82862575

IUPAC2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(S(=O)(=O)N3CCNCC3)CCN12
InChIInChI=1S/C11H20N4O3S/c16-11-2-1-10-9-14(7-8-15(10)11)19(17,18)13-5-3-12-4-6-13/h10,12H,1-9H2
InChIKeyIHNGYDMWBCBTTG-UHFFFAOYSA-N
MW288.37 g/mol
LogP-1.56
Rot. Bonds2

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

2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862575) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862575
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(S(=O)(=O)N3CCNCC3)CCN12
InChIInChI=1S/C11H20N4O3S/c16-11-2-1-10-9-14(7-8-15(10)11)19(17,18)13-5-3-12-4-6-13/h10,12H,1-9H2
InChIKeyIHNGYDMWBCBTTG-UHFFFAOYSA-N
XLogP-1.56
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862575) is 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(S(=O)(=O)N3CCNCC3)CCN12.
What is the InChIKey of 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is IHNGYDMWBCBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c16-11-2-1-10-9-14(7-8-15(10)11)19(17,18)13-5-3-12-4-6-13/h10,12H,1-9H2.
What are the key properties of 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 288.37 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).