2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane

C19H21NO2SSi — CID 101176254

IUPAC2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#C[C@@H]1[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO2SSi/c1-24(2,3)15-14-18-19(16-10-6-4-7-11-16)20(18)23(21,22)17-12-8-5-9-13-17/h4-13,18-19H,1-3H3/t18-,19+,20?/m1/s1
InChIKeyXEYQIUDZZBLIAB-LFPSWIHMSA-N
MW355.54 g/mol
LogP3.68
Rot. Bonds3

About 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane

2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane (PubChem CID 101176254) has the molecular formula C19H21NO2SSi and a molecular weight of 355.54 g/mol. Its IUPAC name is 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane
PubChem CID101176254
Molecular FormulaC19H21NO2SSi
Molecular Weight355.54 g/mol
Exact Mass355.11
IUPAC Name2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#C[C@@H]1[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO2SSi/c1-24(2,3)15-14-18-19(16-10-6-4-7-11-16)20(18)23(21,22)17-12-8-5-9-13-17/h4-13,18-19H,1-3H3/t18-,19+,20?/m1/s1
InChIKeyXEYQIUDZZBLIAB-LFPSWIHMSA-N
XLogP3.68
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethynyl-trimethylsilane
CID 10621217
2-[(2S,3S,4S,5S)-1-hydroxy-3,4-bis[(2-methylpropan-2-yl)oxy]-5-phenylpyrrolidin-2-yl]ethynyl-trimethylsilane
CID 101267405
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
2-[(2R,3S)-3-cyclohexyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethynyl-trimethylsilane
CID 11111578
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
CID 16757039
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane
CID 10498694
(2S,3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxamide
CID 15326329

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane (CID 101176254) is 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#C[C@@H]1[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane?
The InChIKey is XEYQIUDZZBLIAB-LFPSWIHMSA-N. The full InChI is InChI=1S/C19H21NO2SSi/c1-24(2,3)15-14-18-19(16-10-6-4-7-11-16)20(18)23(21,22)17-12-8-5-9-13-17/h4-13,18-19H,1-3H3/t18-,19+,20?/m1/s1.
What are the key properties of 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane?
2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane has a molecular weight of 355.54 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 101176254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).