2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one

C15H17NOS — CID 11536231

IUPAC2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1C=C(Sc2ccccc2)CC2CCCCN12
InChIInChI=1S/C15H17NOS/c17-15-11-14(18-13-7-2-1-3-8-13)10-12-6-4-5-9-16(12)15/h1-3,7-8,11-12H,4-6,9-10H2
InChIKeyUIQFILSYXTVVPP-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.45
Rot. Bonds2

About 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one

2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one (PubChem CID 11536231) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one
PubChem CID11536231
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1C=C(Sc2ccccc2)CC2CCCCN12
InChIInChI=1S/C15H17NOS/c17-15-11-14(18-13-7-2-1-3-8-13)10-12-6-4-5-9-16(12)15/h1-3,7-8,11-12H,4-6,9-10H2
InChIKeyUIQFILSYXTVVPP-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one with MolForge

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Related Compounds

1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
(8aS)-7-pyrrolidin-1-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 58681493
7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 51031307
1-cyclohexyl-3-(1-phenylazepan-2-yl)pyrrole-2,5-dione
CID 162355605
4-phenylsulfanyl-2-prop-2-enyl-2,3-dihydro-1H-pyridin-6-one
CID 71545450
6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
CID 86234429
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
1-cyclononyl-2-phenylsulfanylazonane
CID 70505831
(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one
CID 95561967
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
(3aS,7aS)-1,3-dimethyl-2-(2-phenylsulfanylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
CID 101205230
2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61371935

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The IUPAC name of 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one (CID 11536231) is 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one.
What is the SMILES notation for 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The canonical SMILES for 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one is O=C1C=C(Sc2ccccc2)CC2CCCCN12.
What is the InChIKey of 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The InChIKey is UIQFILSYXTVVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c17-15-11-14(18-13-7-2-1-3-8-13)10-12-6-4-5-9-16(12)15/h1-3,7-8,11-12H,4-6,9-10H2.
What are the key properties of 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one has a molecular weight of 259.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one is sourced from PubChem (CID 11536231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).