methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate

C15H23NO4SSi — CID 15370769

IUPACmethyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)N1S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H23NO4SSi/c1-20-15(17)14-13(12-8-6-5-7-9-12)16(14)21(18,19)10-11-22(2,3)4/h5-9,13-14H,10-11H2,1-4H3
InChIKeyZGEBPIMPQKTONZ-UHFFFAOYSA-N
MW341.51 g/mol
LogP2.25
Rot. Bonds6

About methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate

methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate (PubChem CID 15370769) has the molecular formula C15H23NO4SSi and a molecular weight of 341.51 g/mol. Its IUPAC name is methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate
PubChem CID15370769
Molecular FormulaC15H23NO4SSi
Molecular Weight341.51 g/mol
Exact Mass341.11
IUPAC Namemethyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)N1S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H23NO4SSi/c1-20-15(17)14-13(12-8-6-5-7-9-12)16(14)21(18,19)10-11-22(2,3)4/h5-9,13-14H,10-11H2,1-4H3
InChIKeyZGEBPIMPQKTONZ-UHFFFAOYSA-N
XLogP2.25
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.51
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2R,3R)-2,3-diphenylaziridin-1-yl]sulfonylethyl-trimethylsilane
CID 10498694
(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol
CID 102373675
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
methyl (2S,3S)-1-(3-methoxy-3-oxopropyl)-3-phenylaziridine-2-carboxylate
CID 23266537
benzyl 2-[(2S,6S)-6-methyl-1-(2-trimethylsilylethylsulfonyl)piperidin-2-yl]acetate
CID 101069850
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
methyl (2S,3R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylaziridine-2-carboxylate
CID 11186331
methyl 1-(benzenesulfonyl)-5-(cyclopropylmethylcarbamoyl)-2,4-diphenylpyrrolidine-3-carboxylate
CID 23850457
methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate
CID 11220613
methyl 3-[4-[hydroxy(oxido)amino]phenyl]-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 163165098

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate?
The IUPAC name of methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate (CID 15370769) is methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate.
What is the SMILES notation for methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate?
The canonical SMILES for methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate is COC(=O)C1C(c2ccccc2)N1S(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate?
The InChIKey is ZGEBPIMPQKTONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4SSi/c1-20-15(17)14-13(12-8-6-5-7-9-12)16(14)21(18,19)10-11-22(2,3)4/h5-9,13-14H,10-11H2,1-4H3.
What are the key properties of methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate?
methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate has a molecular weight of 341.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate is sourced from PubChem (CID 15370769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).