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

C24H41NO2SSi — CID 24999386

IUPACtriethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H]1CCCC/C1=C/[S@@](=O)(=NC)c1ccccc1
InChIInChI=1S/C24H41NO2SSi/c1-7-29(8-2,9-3)27-24(20(4)5)23-18-14-13-15-21(23)19-28(26,25-6)22-16-11-10-12-17-22/h10-12,16-17,19-20,23-24H,7-9,13-15,18H2,1-6H3/b21-19-/t23-,24+,28+/m1/s1
InChIKeyNASKMUZSYMBPOY-UOEOGRDESA-N
MW435.75 g/mol
LogP7.26
Rot. Bonds9

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

triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane (PubChem CID 24999386) has the molecular formula C24H41NO2SSi and a molecular weight of 435.75 g/mol. Its IUPAC name is triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane
PubChem CID24999386
Molecular FormulaC24H41NO2SSi
Molecular Weight435.75 g/mol
Exact Mass435.26
IUPAC Nametriethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H]1CCCC/C1=C/[S@@](=O)(=NC)c1ccccc1
InChIInChI=1S/C24H41NO2SSi/c1-7-29(8-2,9-3)27-24(20(4)5)23-18-14-13-15-21(23)19-28(26,25-6)22-16-11-10-12-17-22/h10-12,16-17,19-20,23-24H,7-9,13-15,18H2,1-6H3/b21-19-/t23-,24+,28+/m1/s1
InChIKeyNASKMUZSYMBPOY-UOEOGRDESA-N
XLogP7.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.75
LogP ≤ 57.26
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
(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
CID 10593963
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol
CID 25038285
(Z,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-ol
CID 25048478
triethyl-[(Z,1R,2R)-3-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-2-propan-2-ylbut-3-enoxy]silane
CID 134932200
(Z,3R,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
CID 134981789
trimethyl-[(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 135050526
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

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane?
The IUPAC name of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane (CID 24999386) is triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane.
What is the SMILES notation for triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane?
The canonical SMILES for triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane is CC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H]1CCCC/C1=C/[S@@](=O)(=NC)c1ccccc1.
What is the InChIKey of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane?
The InChIKey is NASKMUZSYMBPOY-UOEOGRDESA-N. The full InChI is InChI=1S/C24H41NO2SSi/c1-7-29(8-2,9-3)27-24(20(4)5)23-18-14-13-15-21(23)19-28(26,25-6)22-16-11-10-12-17-22/h10-12,16-17,19-20,23-24H,7-9,13-15,18H2,1-6H3/b21-19-/t23-,24+,28+/m1/s1.
What are the key properties of triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane?
triethyl-[(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane has a molecular weight of 435.75 g/mol, XLogP of 7.26, 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]cyclohexyl]propoxy]silane is sourced from PubChem (CID 24999386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).