(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol

C20H27NO3SSi — CID 102373675

IUPAC(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol
SMILESC[Si](C)(C)CCS(=O)(=O)N1[C@H]([C@H](O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H27NO3SSi/c1-26(2,3)15-14-25(23,24)21-18(16-10-6-4-7-11-16)19(21)20(22)17-12-8-5-9-13-17/h4-13,18-20,22H,14-15H2,1-3H3/t18-,19-,20+,21?/m0/s1
InChIKeyLUYWUKNDQDLEHA-CBQMWWCCSA-N
MW389.59 g/mol
LogP3.81
Rot. Bonds7

About (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol

(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol (PubChem CID 102373675) has the molecular formula C20H27NO3SSi and a molecular weight of 389.59 g/mol. Its IUPAC name is (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol
PubChem CID102373675
Molecular FormulaC20H27NO3SSi
Molecular Weight389.59 g/mol
Exact Mass389.15
IUPAC Name(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol
SMILESC[Si](C)(C)CCS(=O)(=O)N1[C@H]([C@H](O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H27NO3SSi/c1-26(2,3)15-14-25(23,24)21-18(16-10-6-4-7-11-16)19(21)20(22)17-12-8-5-9-13-17/h4-13,18-20,22H,14-15H2,1-3H3/t18-,19-,20+,21?/m0/s1
InChIKeyLUYWUKNDQDLEHA-CBQMWWCCSA-N
XLogP3.81
TPSA57.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
methyl 3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridine-2-carboxylate
CID 15370769
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 102373671
(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol
CID 122372363
(R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 92856808
ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 6610189
ethyl (2R,3R)-3-[(R)-hydroxy(phenyl)methyl]-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 11036160
(1S)-1-[(2R,3R)-1-tert-butyl-3-phenylaziridin-2-yl]-2-methylpropan-1-ol
CID 139039673
(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol
CID 54095023
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
(2S,3R,4S)-3-bromo-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-ylazetidine
CID 101070988
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol?
The IUPAC name of (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol (CID 102373675) is (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol?
The canonical SMILES for (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol is C[Si](C)(C)CCS(=O)(=O)N1[C@H]([C@H](O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol?
The InChIKey is LUYWUKNDQDLEHA-CBQMWWCCSA-N. The full InChI is InChI=1S/C20H27NO3SSi/c1-26(2,3)15-14-25(23,24)21-18(16-10-6-4-7-11-16)19(21)20(22)17-12-8-5-9-13-17/h4-13,18-20,22H,14-15H2,1-3H3/t18-,19-,20+,21?/m0/s1.
What are the key properties of (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol?
(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol has a molecular weight of 389.59 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol is sourced from PubChem (CID 102373675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).