(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione

C12H13NO3S — CID 15421450

IUPAC(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione
SMILESCCS[C@@H]1C(=O)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C12H13NO3S/c1-3-17-12-10(14)11(15)13(12)8-4-6-9(16-2)7-5-8/h4-7,12H,3H2,1-2H3/t12-/m1/s1
InChIKeyYYPOMAVBIDEJTC-GFCCVEGCSA-N
MW251.31 g/mol
LogP1.69
Rot. Bonds4

About (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione

(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione (PubChem CID 15421450) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione.

Molecular Properties

Compound Name(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione
PubChem CID15421450
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione
SMILESCCS[C@@H]1C(=O)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C12H13NO3S/c1-3-17-12-10(14)11(15)13(12)8-4-6-9(16-2)7-5-8/h4-7,12H,3H2,1-2H3/t12-/m1/s1
InChIKeyYYPOMAVBIDEJTC-GFCCVEGCSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 102211172
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
CID 10655761
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 10958913
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696
ethyl (2R,3S)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085695
4-cyclohexyl-1-(4-methoxyphenyl)azetidin-2-one
CID 10999789
(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 10402014
(2S,3S)-3-tert-butyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
CID 15552488
4-[bis(ethylsulfanyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3,5-trione
CID 102133949

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
The IUPAC name of (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione (CID 15421450) is (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione.
What is the SMILES notation for (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
The canonical SMILES for (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione is CCS[C@@H]1C(=O)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
The InChIKey is YYPOMAVBIDEJTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-3-17-12-10(14)11(15)13(12)8-4-6-9(16-2)7-5-8/h4-7,12H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione has a molecular weight of 251.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione is sourced from PubChem (CID 15421450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).