6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one

C16H21N3O3S — CID 95765166

IUPAC6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)ccc2N1
InChIInChI=1S/C16H21N3O3S/c20-16-6-3-12-10-14(4-5-15(12)17-16)23(21,22)19-9-8-18-7-1-2-13(18)11-19/h4-5,10,13H,1-3,6-9,11H2,(H,17,20)/t13-/m1/s1
InChIKeyNHGZTFFHILLOGS-CYBMUJFWSA-N
MW335.43 g/mol
LogP1.04
Rot. Bonds2

About 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one

6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95765166) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95765166
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)ccc2N1
InChIInChI=1S/C16H21N3O3S/c20-16-6-3-12-10-14(4-5-15(12)17-16)23(21,22)19-9-8-18-7-1-2-13(18)11-19/h4-5,10,13H,1-3,6-9,11H2,(H,17,20)/t13-/m1/s1
InChIKeyNHGZTFFHILLOGS-CYBMUJFWSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

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CID 126767108
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50968398
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 75400365
6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 16677670
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyridin-2-one
CID 54877089
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
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Frequently Asked Questions

What is the IUPAC name of 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one (CID 95765166) is 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)ccc2N1.
What is the InChIKey of 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NHGZTFFHILLOGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-16-6-3-12-10-14(4-5-15(12)17-16)23(21,22)19-9-8-18-7-1-2-13(18)11-19/h4-5,10,13H,1-3,6-9,11H2,(H,17,20)/t13-/m1/s1.
What are the key properties of 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 335.43 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95765166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).