tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate

C28H41NO6SSi — CID 86640979

IUPACtert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OS(C)(=O)=O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO6SSi/c1-27(2,3)34-26(30)29-19-18-23(35-36(7,31)32)20-22(29)21-33-37(28(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21H2,1-7H3/t22-,23+/m0/s1
InChIKeyYTCAXCXEXVDXGO-XZOQPEGZSA-N
MW547.79 g/mol
LogP4.31
Rot. Bonds7

About tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate

tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate (PubChem CID 86640979) has the molecular formula C28H41NO6SSi and a molecular weight of 547.79 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate
PubChem CID86640979
Molecular FormulaC28H41NO6SSi
Molecular Weight547.79 g/mol
Exact Mass547.24
IUPAC Nametert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OS(C)(=O)=O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO6SSi/c1-27(2,3)34-26(30)29-19-18-23(35-36(7,31)32)20-22(29)21-33-37(28(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21H2,1-7H3/t22-,23+/m0/s1
InChIKeyYTCAXCXEXVDXGO-XZOQPEGZSA-N
XLogP4.31
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfinyloxypyrrolidine-1-carboxylate
CID 67033475
1,1-dimethylethyl (2S,5S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-5-methyl-1-piperidinecarboxylate
CID 67965005
(2S,4S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-4-(methylsulfonyloxy)pyrrolidine-1-carboxylate
CID 86653919
tert-Butyl 4-{[tert-butyl(diphenyl)silyl]oxy}piperidine-1-carboxylate
CID 86661577
(2S)-tert-Butyl 2-((tert-butyldiphenylsilyloxy)methyl)-6-methoxypiperidine-1-carboxylate
CID 86700549
(2S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-6-hydroxypiperidine-1-carboxylate
CID 86700550
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 87243693
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylic acid
CID 87246820
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylic acid
CID 87382262
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,3,4,4-pentadeuterio-5-methylpiperidine-1-carboxylate
CID 88531552

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate (CID 86640979) is tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](OS(C)(=O)=O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate?
The InChIKey is YTCAXCXEXVDXGO-XZOQPEGZSA-N. The full InChI is InChI=1S/C28H41NO6SSi/c1-27(2,3)34-26(30)29-19-18-23(35-36(7,31)32)20-22(29)21-33-37(28(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21H2,1-7H3/t22-,23+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate?
tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate has a molecular weight of 547.79 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylsulfonyloxypiperidine-1-carboxylate is sourced from PubChem (CID 86640979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).