(4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

C17H25NO2SSi — CID 57145497

IUPAC(4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C)C1C(=O)N[C@@H]1[C@@H](C)C(=S)c1ccccc1
InChIInChI=1S/C17H25NO2SSi/c1-11(16(21)13-9-7-6-8-10-13)15-14(17(19)18-15)12(2)20-22(3,4)5/h6-12,14-15H,1-5H3,(H,18,19)/t11-,12-,14?,15-/m1/s1
InChIKeyKPRHZXXVGVZASK-MYIUUGPWSA-N
MW335.55 g/mol
LogP3.40
Rot. Bonds6

About (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

(4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (PubChem CID 57145497) has the molecular formula C17H25NO2SSi and a molecular weight of 335.55 g/mol. Its IUPAC name is (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
PubChem CID57145497
Molecular FormulaC17H25NO2SSi
Molecular Weight335.55 g/mol
Exact Mass335.14
IUPAC Name(4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C)C1C(=O)N[C@@H]1[C@@H](C)C(=S)c1ccccc1
InChIInChI=1S/C17H25NO2SSi/c1-11(16(21)13-9-7-6-8-10-13)15-14(17(19)18-15)12(2)20-22(3,4)5/h6-12,14-15H,1-5H3,(H,18,19)/t11-,12-,14?,15-/m1/s1
InChIKeyKPRHZXXVGVZASK-MYIUUGPWSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
CID 10913780
(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 134942888
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-phenylprop-2-ynyl)azetidin-2-one
CID 135078685
(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one
CID 138981266
(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one
CID 10590723
[(1S)-1-[(3S,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]ethyl] dodecanoate
CID 10597081
(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 11142197
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-phenylprop-2-ynyl)azetidin-2-one
CID 12162959
(3S,4R)-3-[(1R)-1-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyethyl]-4-(2-phenyl-2-sulfanylideneethyl)azetidin-2-one
CID 13685238
(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one
CID 15137352
(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1R)-1-hydroxy-3-phenylpropyl]azetidin-2-one
CID 15137353

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The IUPAC name of (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (CID 57145497) is (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.
What is the SMILES notation for (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The canonical SMILES for (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is C[C@@H](O[Si](C)(C)C)C1C(=O)N[C@@H]1[C@@H](C)C(=S)c1ccccc1.
What is the InChIKey of (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The InChIKey is KPRHZXXVGVZASK-MYIUUGPWSA-N. The full InChI is InChI=1S/C17H25NO2SSi/c1-11(16(21)13-9-7-6-8-10-13)15-14(17(19)18-15)12(2)20-22(3,4)5/h6-12,14-15H,1-5H3,(H,18,19)/t11-,12-,14?,15-/m1/s1.
What are the key properties of (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
(4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one has a molecular weight of 335.55 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-1-phenyl-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is sourced from PubChem (CID 57145497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).