6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C20H19NOS — CID 51032851

IUPAC6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(Sc2ccccc2)CC2CCCN12
InChIInChI=1S/C20H19NOS/c22-20-19(15-8-3-1-4-9-15)18(14-16-10-7-13-21(16)20)23-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKeyFFDBCXCKOUQDPE-UHFFFAOYSA-N
MW321.44 g/mol
LogP4.58
Rot. Bonds3

About 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 51032851) has the molecular formula C20H19NOS and a molecular weight of 321.44 g/mol. Its IUPAC name is 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID51032851
Molecular FormulaC20H19NOS
Molecular Weight321.44 g/mol
Exact Mass321.12
IUPAC Name6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(Sc2ccccc2)CC2CCCN12
InChIInChI=1S/C20H19NOS/c22-20-19(15-8-3-1-4-9-15)18(14-16-10-7-13-21(16)20)23-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKeyFFDBCXCKOUQDPE-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 961999
N-benzhydryl-N-methyl-2-methylsulfanylbenzamide
CID 4783727
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
CID 4518969
6-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 10450498
7-(4-methylsulfanylphenyl)-6-thiophen-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 24857934
7-(4-methylsulfanylphenyl)-6-thiophen-3-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 24857935
6-(4-fluorophenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291037
6-(3,4-dimethylphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291104
6-(4-fluoro-3-methylphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291119
7-(4-methylsulfanylphenyl)-6-[4-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291145
6,7-bis(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291187

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 51032851) is 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is O=C1C(c2ccccc2)=C(Sc2ccccc2)CC2CCCN12.
What is the InChIKey of 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is FFDBCXCKOUQDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c22-20-19(15-8-3-1-4-9-15)18(14-16-10-7-13-21(16)20)23-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2.
What are the key properties of 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 321.44 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-phenylsulfanyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 51032851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).