triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane

C28H39NO2SSi — CID 101200010

IUPACtriethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C#Cc1ccccc1)[C@H](/C=C\S(=O)(=NC)c1ccccc1)C(C)C
InChIInChI=1S/C28H39NO2SSi/c1-7-33(8-2,9-3)31-28(21-20-25-16-12-10-13-17-25)27(24(4)5)22-23-32(30,29-6)26-18-14-11-15-19-26/h10-19,22-24,27-28H,7-9H2,1-6H3/b23-22-/t27-,28+,32?/m1/s1
InChIKeyYGCDIESLBJGABT-PCTWNWJZSA-N
MW481.78 g/mol
LogP7.37
Rot. Bonds10

About triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane

triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane (PubChem CID 101200010) has the molecular formula C28H39NO2SSi and a molecular weight of 481.78 g/mol. Its IUPAC name is triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane
PubChem CID101200010
Molecular FormulaC28H39NO2SSi
Molecular Weight481.78 g/mol
Exact Mass481.25
IUPAC Nametriethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C#Cc1ccccc1)[C@H](/C=C\S(=O)(=NC)c1ccccc1)C(C)C
InChIInChI=1S/C28H39NO2SSi/c1-7-33(8-2,9-3)31-28(21-20-25-16-12-10-13-17-25)27(24(4)5)22-23-32(30,29-6)26-18-14-11-15-19-26/h10-19,22-24,27-28H,7-9H2,1-6H3/b23-22-/t27-,28+,32?/m1/s1
InChIKeyYGCDIESLBJGABT-PCTWNWJZSA-N
XLogP7.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.78
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[(Z,1R,2R)-3-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-2-propan-2-ylbut-3-enoxy]silane
CID 134932200
triethyl-[(Z,1R,2R)-3-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1,2-diphenylbut-3-enoxy]silane
CID 138970059
[(Z,1S,2R)-1-cyclohexyl-3-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-2-phenylbut-3-enoxy]-triethylsilane
CID 138970060
(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(N-methyl-S-phenylsulfonimidoyl)-3-phenylpent-4-en-2-ol
CID 138970926
triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane
CID 138970930
CID 11192550
CID 11192550
[(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane
CID 11812735
triethyl-[(1S)-2-methyl-1-[(1R,2E)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane
CID 24999387
triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane
CID 102396378
[(Z,3R,4S)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-5-en-1-yn-3-yl]oxy-triethylsilane
CID 177515245
triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane
CID 10718677
tert-butyl-dimethyl-[(E,1R,2R)-2-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenylbut-3-enoxy]silane
CID 10765039

Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane?
The IUPAC name of triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane (CID 101200010) is triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane?
The canonical SMILES for triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane is CC[Si](CC)(CC)O[C@@H](C#Cc1ccccc1)[C@H](/C=C\S(=O)(=NC)c1ccccc1)C(C)C.
What is the InChIKey of triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane?
The InChIKey is YGCDIESLBJGABT-PCTWNWJZSA-N. The full InChI is InChI=1S/C28H39NO2SSi/c1-7-33(8-2,9-3)31-28(21-20-25-16-12-10-13-17-25)27(24(4)5)22-23-32(30,29-6)26-18-14-11-15-19-26/h10-19,22-24,27-28H,7-9H2,1-6H3/b23-22-/t27-,28+,32?/m1/s1.
What are the key properties of triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane?
triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane has a molecular weight of 481.78 g/mol, XLogP of 7.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane is sourced from PubChem (CID 101200010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).