N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide

C29H39NO2SSi — CID 102290514

IUPACN-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@](C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H39NO2SSi/c1-27(2,3)33(31)30-29(7,24-17-11-8-12-18-24)23-32-34(28(4,5)6,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,30H,23H2,1-7H3/t29-,33?/m0/s1
InChIKeyDDQTZNCFLSHOBE-WXTKOERCSA-N
MW493.79 g/mol
LogP5.53
Rot. Bonds8

About N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide

N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 102290514) has the molecular formula C29H39NO2SSi and a molecular weight of 493.79 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID102290514
Molecular FormulaC29H39NO2SSi
Molecular Weight493.79 g/mol
Exact Mass493.25
IUPAC NameN-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@](C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H39NO2SSi/c1-27(2,3)33(31)30-29(7,24-17-11-8-12-18-24)23-32-34(28(4,5)6,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,30H,23H2,1-7H3/t29-,33?/m0/s1
InChIKeyDDQTZNCFLSHOBE-WXTKOERCSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.79
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide
CID 178086838
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine
CID 10811915
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
2-(tert-butylsulfinylamino)-2-phenylbutanoic acid
CID 118565605
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
CID 10916308
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 132537284

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide (CID 102290514) is N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@](C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is DDQTZNCFLSHOBE-WXTKOERCSA-N. The full InChI is InChI=1S/C29H39NO2SSi/c1-27(2,3)33(31)30-29(7,24-17-11-8-12-18-24)23-32-34(28(4,5)6,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-22,30H,23H2,1-7H3/t29-,33?/m0/s1.
What are the key properties of N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 493.79 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102290514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).