(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide

C19H33NO3SSi — CID 87146449

IUPAC(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/[C@@H](COc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NO3SSi/c1-18(2,3)24(21)20-14-17(23-25(7,8)19(4,5)6)15-22-16-12-10-9-11-13-16/h9-14,17H,15H2,1-8H3/b20-14+/t17-,24-/m0/s1
InChIKeyHBFTVMLFENLYOF-ZSMYTMBWSA-N
MW383.63 g/mol
LogP4.99
Rot. Bonds7

About (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide

(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide (PubChem CID 87146449) has the molecular formula C19H33NO3SSi and a molecular weight of 383.63 g/mol. Its IUPAC name is (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide
PubChem CID87146449
Molecular FormulaC19H33NO3SSi
Molecular Weight383.63 g/mol
Exact Mass383.20
IUPAC Name(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/[C@@H](COc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NO3SSi/c1-18(2,3)24(21)20-14-17(23-25(7,8)19(4,5)6)15-22-16-12-10-9-11-13-16/h9-14,17H,15H2,1-8H3/b20-14+/t17-,24-/m0/s1
InChIKeyHBFTVMLFENLYOF-ZSMYTMBWSA-N
XLogP4.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
CID 11464164
(NE,S)-N-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
CID 11452753
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
CID 150420736
(S)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 129053217
(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
CID 129053216
(NE,R)-N-[(2R)-2-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propylidene]-2-methylpropane-2-sulfinamide
CID 71763875
tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane
CID 10951884
(S)-N-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutylidene]-2-methylpropane-2-sulfinamide
CID 172787805
(NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
CID 11344299
(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine
CID 15060581
5-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-phenoxyethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459973

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide (CID 87146449) is (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C/[C@@H](COc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HBFTVMLFENLYOF-ZSMYTMBWSA-N. The full InChI is InChI=1S/C19H33NO3SSi/c1-18(2,3)24(21)20-14-17(23-25(7,8)19(4,5)6)15-22-16-12-10-9-11-13-16/h9-14,17H,15H2,1-8H3/b20-14+/t17-,24-/m0/s1.
What are the key properties of (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide?
(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 383.63 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87146449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).