2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane

C19H25NO2SSi — CID 10498694

IUPAC2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane
SMILESC[Si](C)(C)CCS(=O)(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H25NO2SSi/c1-24(2,3)15-14-23(21,22)20-18(16-10-6-4-7-11-16)19(20)17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyJGZZGXMVIUKYQA-RTBURBONSA-N
MW359.57 g/mol
LogP4.45
Rot. Bonds6

About 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane

2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane (PubChem CID 10498694) has the molecular formula C19H25NO2SSi and a molecular weight of 359.57 g/mol. Its IUPAC name is 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane
PubChem CID10498694
Molecular FormulaC19H25NO2SSi
Molecular Weight359.57 g/mol
Exact Mass359.14
IUPAC Name2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane
SMILESC[Si](C)(C)CCS(=O)(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H25NO2SSi/c1-24(2,3)15-14-23(21,22)20-18(16-10-6-4-7-11-16)19(20)17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyJGZZGXMVIUKYQA-RTBURBONSA-N
XLogP4.45
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 54.45
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'}

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Related Compounds

(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol
CID 102373675
methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate
CID 15370769
ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 6610189
benzyl 2-[(2S,6S)-6-methyl-1-(2-trimethylsilylethylsulfonyl)piperidin-2-yl]acetate
CID 101069850
(4R,5R)-2-bromo-1,3-bis(methylsulfonyl)-4,5-diphenyl-1,3,2-diazaborolidine
CID 14940738
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane
CID 101176254
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
2-[[8,15-bis(2-trimethylsilylethylsulfonyl)-1,8,15-triazacyclohenicos-1-yl]sulfonyl]ethyl-trimethylsilane
CID 101272185
(2S,4R)-3-[(1S)-1-(4-methylphenyl)propyl]-1-(4-methylphenyl)sulfonyl-2,4-diphenylazetidine
CID 46210687
methyl (4aS,6R,7S,8S,8aR)-3-methyl-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-(2-trimethylsilylethylsulfonyl)-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b][1,4]thiazine-2-carboxylate
CID 101050491

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane?
The IUPAC name of 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane (CID 10498694) is 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane.
What is the SMILES notation for 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane?
The canonical SMILES for 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane is C[Si](C)(C)CCS(=O)(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane?
The InChIKey is JGZZGXMVIUKYQA-RTBURBONSA-N. The full InChI is InChI=1S/C19H25NO2SSi/c1-24(2,3)15-14-23(21,22)20-18(16-10-6-4-7-11-16)19(20)17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane?
2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane has a molecular weight of 359.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane is sourced from PubChem (CID 10498694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).