triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane

C21H37NO2SSi — CID 138970930

IUPACtriethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H](/C=C\[S@@](=O)(=NC)c1ccccc1)C(C)C
InChIInChI=1S/C21H37NO2SSi/c1-8-26(9-2,10-3)24-19(6)21(18(4)5)16-17-25(23,22-7)20-14-12-11-13-15-20/h11-19,21H,8-10H2,1-7H3/b17-16-/t19-,21-,25-/m0/s1
InChIKeySCXJCQUFEYPABX-NGSJENRXSA-N
MW395.69 g/mol
LogP6.34
Rot. Bonds10

About triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane

triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane (PubChem CID 138970930) has the molecular formula C21H37NO2SSi and a molecular weight of 395.69 g/mol. Its IUPAC name is triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane
PubChem CID138970930
Molecular FormulaC21H37NO2SSi
Molecular Weight395.69 g/mol
Exact Mass395.23
IUPAC Nametriethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H](/C=C\[S@@](=O)(=NC)c1ccccc1)C(C)C
InChIInChI=1S/C21H37NO2SSi/c1-8-26(9-2,10-3)24-19(6)21(18(4)5)16-17-25(23,22-7)20-14-12-11-13-15-20/h11-19,21H,8-10H2,1-7H3/b17-16-/t19-,21-,25-/m0/s1
InChIKeySCXJCQUFEYPABX-NGSJENRXSA-N
XLogP6.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.69
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
(9r,10s,e)-9-isopropyl-11-methyl-7-[(r)-N-methyl-S-phenyl-sulfonimidoyl]-10-(triethylsilyloxy)dodeca-1,7-dien-6-one
CID 175668185
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(1R,2S)-5-(benzenesulfonyl)-2-methylcyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11660871
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
CID 15935895
(Z,3S,4R)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-propan-2-ylhex-5-en-3-ol
CID 25037194
[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101161742
[(1R,2R)-5-(benzenesulfonyl)-2-methylcyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 102254190
[(Z,1S,2R)-1-cyclohexyl-3-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-2-phenylbut-3-enoxy]-triethylsilane
CID 138970060
(8r,9s,e)-8-isopropyl-10-methyl-6-[(r)-N-methyl-S-phenyl-sulfonimidoyl]-9-(triethylsilyloxy)-undeca-1,6-dien-5-one
CID 175668184
[(E,2R,5S)-5-(benzenesulfinyl)-2,4-dimethylhex-3-enoxy]-tert-butyl-dimethylsilane
CID 10044452
[(4R)-6-(benzenesulfonyl)-4-methylhexoxy]-tert-butyl-dimethylsilane
CID 11100736

Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane?
The IUPAC name of triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane (CID 138970930) is triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane.
What is the SMILES notation for triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane?
The canonical SMILES for triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane is CC[Si](CC)(CC)O[C@@H](C)[C@@H](/C=C\[S@@](=O)(=NC)c1ccccc1)C(C)C.
What is the InChIKey of triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane?
The InChIKey is SCXJCQUFEYPABX-NGSJENRXSA-N. The full InChI is InChI=1S/C21H37NO2SSi/c1-8-26(9-2,10-3)24-19(6)21(18(4)5)16-17-25(23,22-7)20-14-12-11-13-15-20/h11-19,21H,8-10H2,1-7H3/b17-16-/t19-,21-,25-/m0/s1.
What are the key properties of triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane?
triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane has a molecular weight of 395.69 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane is sourced from PubChem (CID 138970930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).