[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane

C22H31NOSi — CID 102014997

IUPAC[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,3)25(4,5)24-17-20-21(19-14-10-7-11-15-19)23(20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21-,23?/m1/s1
InChIKeyIMSCUHZDFCUXRR-OJOWTSHBSA-N
MW353.58 g/mol
LogP5.63
Rot. Bonds6

About [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102014997) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID102014997
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Name[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,3)25(4,5)24-17-20-21(19-14-10-7-11-15-19)23(20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21-,23?/m1/s1
InChIKeyIMSCUHZDFCUXRR-OJOWTSHBSA-N
XLogP5.63
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.58
LogP ≤ 55.63
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

2-Aziridinemethanol, 1-methyl-3-phenyl-, cis-
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(2S,3S)-3-(dibenzylamino)-4-phenyl-2-trimethylsilyloxybutanenitrile
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tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 102014997) is [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is IMSCUHZDFCUXRR-OJOWTSHBSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-22(2,3)25(4,5)24-17-20-21(19-14-10-7-11-15-19)23(20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21-,23?/m1/s1.
What are the key properties of [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 353.58 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102014997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).