triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane

C23H39NO2SSi — CID 10873521

IUPACtriethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H]1CCC/C1=C/S(=O)(=NC)c1ccccc1
InChIInChI=1S/C23H39NO2SSi/c1-7-28(8-2,9-3)26-23(19(4)5)22-17-13-14-20(22)18-27(25,24-6)21-15-11-10-12-16-21/h10-12,15-16,18-19,22-23H,7-9,13-14,17H2,1-6H3/b20-18-/t22-,23+,27?/m1/s1
InChIKeyUSFQQTLUAMCNDT-VDALHZLUSA-N
MW421.72 g/mol
LogP6.87
Rot. Bonds9

About triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane

triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane (PubChem CID 10873521) has the molecular formula C23H39NO2SSi and a molecular weight of 421.72 g/mol. Its IUPAC name is triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane
PubChem CID10873521
Molecular FormulaC23H39NO2SSi
Molecular Weight421.72 g/mol
Exact Mass421.25
IUPAC Nametriethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H]1CCC/C1=C/S(=O)(=NC)c1ccccc1
InChIInChI=1S/C23H39NO2SSi/c1-7-28(8-2,9-3)26-23(19(4)5)22-17-13-14-20(22)18-27(25,24-6)21-15-11-10-12-16-21/h10-12,15-16,18-19,22-23H,7-9,13-14,17H2,1-6H3/b20-18-/t22-,23+,27?/m1/s1
InChIKeyUSFQQTLUAMCNDT-VDALHZLUSA-N
XLogP6.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.72
LogP ≤ 56.87
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

(e)-1-[(r)-2-[(s)-2-methyl-1-(triethylsilyloxy)propyl]cyclohexylidene]-1-[(r)-N-methyl-S-phenyl-sulfonimidoyl]hex-5-en-2-one
CID 175668186
(e)-1-[(r)-2-[(s)-2-methyl-1-(triethylsilyloxy)propyl]cyclohexylidene}-1-[(r)-N-methyl-S-phenyl-sulfonimidoyl]hept-6-en-2-one
CID 175668187
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
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
[(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-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane
CID 101200010
triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane
CID 102396378

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane?
The IUPAC name of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane (CID 10873521) is triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane.
What is the SMILES notation for triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane?
The canonical SMILES for triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane is CC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H]1CCC/C1=C/S(=O)(=NC)c1ccccc1.
What is the InChIKey of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane?
The InChIKey is USFQQTLUAMCNDT-VDALHZLUSA-N. The full InChI is InChI=1S/C23H39NO2SSi/c1-7-28(8-2,9-3)26-23(19(4)5)22-17-13-14-20(22)18-27(25,24-6)21-15-11-10-12-16-21/h10-12,15-16,18-19,22-23H,7-9,13-14,17H2,1-6H3/b20-18-/t22-,23+,27?/m1/s1.
What are the key properties of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane?
triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane has a molecular weight of 421.72 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclopentyl]propoxy]silane is sourced from PubChem (CID 10873521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).