(NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide

C23H33NO2SSi — CID 11464164

IUPAC(NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](/C=N/[S@](=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO2SSi/c1-19(18-24-27(25)22(2,3)4)26-28(23(5,6)7,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-19H,1-7H3/b24-18+/t19-,27+/m0/s1
InChIKeyKNEXHUBTMAIPHQ-WDWCRVQFSA-N
MW415.68 g/mol
LogP4.48
Rot. Bonds6

About (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide (PubChem CID 11464164) has the molecular formula C23H33NO2SSi and a molecular weight of 415.68 g/mol. Its IUPAC name is (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
PubChem CID11464164
Molecular FormulaC23H33NO2SSi
Molecular Weight415.68 g/mol
Exact Mass415.20
IUPAC Name(NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](/C=N/[S@](=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO2SSi/c1-19(18-24-27(25)22(2,3)4)26-28(23(5,6)7,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-19H,1-7H3/b24-18+/t19-,27+/m0/s1
InChIKeyKNEXHUBTMAIPHQ-WDWCRVQFSA-N
XLogP4.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,S)-N-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
CID 11452753
(NE,R)-N-[(2R)-2-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propylidene]-2-methylpropane-2-sulfinamide
CID 71763875
(S)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 129053217
(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
CID 129053216
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide
CID 87146449
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
(NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
CID 11344299
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide (CID 11464164) is (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide is C[C@@H](/C=N/[S@](=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is KNEXHUBTMAIPHQ-WDWCRVQFSA-N. The full InChI is InChI=1S/C23H33NO2SSi/c1-19(18-24-27(25)22(2,3)4)26-28(23(5,6)7,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-19H,1-7H3/b24-18+/t19-,27+/m0/s1.
What are the key properties of (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 415.68 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11464164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).