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

C17H17NOS — CID 15624083

IUPAC(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1Sc1ccccc1
InChIInChI=1S/C17H17NOS/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(13)20-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-,17-/m1/s1
InChIKeyAPZKASWGTRGZIK-CXAGYDPISA-N
MW283.40 g/mol
LogP3.78
Rot. Bonds4

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

(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one (PubChem CID 15624083) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
PubChem CID15624083
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1Sc1ccccc1
InChIInChI=1S/C17H17NOS/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(13)20-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-,17-/m1/s1
InChIKeyAPZKASWGTRGZIK-CXAGYDPISA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
(3S,4R)-3-methyl-4-methylsulfanyl-1-(6-phenylhexyl)azetidin-2-one
CID 54068518
1-benzyl-3-phenylsulfanylpyrrolidine-2,5-dione
CID 86231924
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
(3S,4S)-1-benzyl-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrolidine-2,5-dione
CID 98150978
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
CID 45095274

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one (CID 15624083) is (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one is C[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1Sc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one?
The InChIKey is APZKASWGTRGZIK-CXAGYDPISA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(13)20-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-,17-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one?
(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one has a molecular weight of 283.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 15624083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).