(3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one

C16H15NOS — CID 58843854

IUPAC(3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESCN1C(=O)[C@H](Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H15NOS/c1-17-14(12-8-4-2-5-9-12)15(16(17)18)19-13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1
InChIKeyFARPHKSGUFBYIM-LSDHHAIUSA-N
MW269.37 g/mol
LogP3.36
Rot. Bonds3

About (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one

(3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one (PubChem CID 58843854) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
PubChem CID58843854
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESCN1C(=O)[C@H](Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H15NOS/c1-17-14(12-8-4-2-5-9-12)15(16(17)18)19-13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1
InChIKeyFARPHKSGUFBYIM-LSDHHAIUSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
CID 4518969
4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-propyl-1,4-diazepan-5-one
CID 16746489
1-methyl-4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1,4-diazepan-5-one
CID 16746507
1-methyl-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one
CID 24761273
4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1-propyl-1,4-diazepan-5-one
CID 24761285
(5S)-5-methyl-1-[(2S)-1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-yl]azepan-2-one
CID 24789375
2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 4057069
(2S)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-1-carboxamide
CID 10597572
1-benzyl-4-[(2S)-3-methyl-1-phenylsulfanylbutan-2-yl]-1,4-diazepan-5-one
CID 24767166
(5S)-5-methyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-2-one
CID 24793763

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The IUPAC name of (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one (CID 58843854) is (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one is CN1C(=O)[C@H](Sc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The InChIKey is FARPHKSGUFBYIM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15NOS/c1-17-14(12-8-4-2-5-9-12)15(16(17)18)19-13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
(3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one has a molecular weight of 269.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 58843854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).