(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one

C18H19NOS — CID 11522228

IUPAC(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one
SMILESC[C@H]1[C@H](c2ccccc2)[C@@H](Sc2ccccc2)C(=O)N1C
InChIInChI=1S/C18H19NOS/c1-13-16(14-9-5-3-6-10-14)17(18(20)19(13)2)21-15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16+,17+/m0/s1
InChIKeyQUKJEXMXTKWLIR-IAOVAPTHSA-N
MW297.42 g/mol
LogP3.79
Rot. Bonds3

About (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one

(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one (PubChem CID 11522228) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one
PubChem CID11522228
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one
SMILESC[C@H]1[C@H](c2ccccc2)[C@@H](Sc2ccccc2)C(=O)N1C
InChIInChI=1S/C18H19NOS/c1-13-16(14-9-5-3-6-10-14)17(18(20)19(13)2)21-15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16+,17+/m0/s1
InChIKeyQUKJEXMXTKWLIR-IAOVAPTHSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(2R,5R)-3-methyl-2,5-diphenylimidazolidin-4-one
CID 10192809
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
CID 14796237
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
CID 15624083
(1S,3R)-1,3-dimethyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 10613963
4-methyl-3-phenylsulfanyloxan-2-one
CID 14862270
(4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one
CID 131075728
(4S,5S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one
CID 14237750
3-methyl-2-(4-methylsulfanylphenyl)-5-phenylimidazolidin-4-one
CID 115282358
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one (CID 11522228) is (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one is C[C@H]1[C@H](c2ccccc2)[C@@H](Sc2ccccc2)C(=O)N1C.
What is the InChIKey of (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one?
The InChIKey is QUKJEXMXTKWLIR-IAOVAPTHSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13-16(14-9-5-3-6-10-14)17(18(20)19(13)2)21-15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16+,17+/m0/s1.
What are the key properties of (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one?
(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one has a molecular weight of 297.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 11522228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).