1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one

C16H25N5O3S — CID 91923664

IUPAC1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)CC2C(=O)NCCN2C3)cn1
InChIInChI=1S/C16H25N5O3S/c1-2-20-11-13(10-18-20)25(23,24)21-6-3-16(4-7-21)9-14-15(22)17-5-8-19(14)12-16/h10-11,14H,2-9,12H2,1H3,(H,17,22)
InChIKeyHPQNKFCMDPSHGH-UHFFFAOYSA-N
MW367.48 g/mol
LogP-0.12
Rot. Bonds3

About 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one

1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (PubChem CID 91923664) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
PubChem CID91923664
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CC2)CC2C(=O)NCCN2C3)cn1
InChIInChI=1S/C16H25N5O3S/c1-2-20-11-13(10-18-20)25(23,24)21-6-3-16(4-7-21)9-14-15(22)17-5-8-19(14)12-16/h10-11,14H,2-9,12H2,1H3,(H,17,22)
InChIKeyHPQNKFCMDPSHGH-UHFFFAOYSA-N
XLogP-0.12
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The IUPAC name of 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (CID 91923664) is 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The canonical SMILES for 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is CCn1cc(S(=O)(=O)N2CCC3(CC2)CC2C(=O)NCCN2C3)cn1.
What is the InChIKey of 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The InChIKey is HPQNKFCMDPSHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-2-20-11-13(10-18-20)25(23,24)21-6-3-16(4-7-21)9-14-15(22)17-5-8-19(14)12-16/h10-11,14H,2-9,12H2,1H3,(H,17,22).
What are the key properties of 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one has a molecular weight of 367.48 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-ethylpyrazol-4-yl)sulfonylspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is sourced from PubChem (CID 91923664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).