[(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane

C27H34O3SSi — CID 11113393

IUPAC[(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C27H34O3SSi/c1-23(22-31(28,29)24-14-8-5-9-15-24)20-21-30-32(27(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23H,20-22H2,1-4H3/t23-/m0/s1
InChIKeyNJNPVNRQHIKRAO-QHCPKHFHSA-N
MW466.72 g/mol
LogP5.06
Rot. Bonds9

About [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane

[(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane (PubChem CID 11113393) has the molecular formula C27H34O3SSi and a molecular weight of 466.72 g/mol. Its IUPAC name is [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane
PubChem CID11113393
Molecular FormulaC27H34O3SSi
Molecular Weight466.72 g/mol
Exact Mass466.20
IUPAC Name[(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C27H34O3SSi/c1-23(22-31(28,29)24-14-8-5-9-15-24)20-21-30-32(27(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23H,20-22H2,1-4H3/t23-/m0/s1
InChIKeyNJNPVNRQHIKRAO-QHCPKHFHSA-N
XLogP5.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.72
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyldiphenyl(2-(phenylsulfonyl)ethyl)silane
CID 11014023
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
(2Z,6Z,10Z)-1-(tert-Butyldiphenylsilyloxy)-9-benzenesulfonyl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 131749538
Methyldiphenyl(2-(phenylsulfonyl)allyl)silane
CID 166637015
[2-(Benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane
CID 10981893
tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 10863530
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane (CID 11113393) is [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane is C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane?
The InChIKey is NJNPVNRQHIKRAO-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H34O3SSi/c1-23(22-31(28,29)24-14-8-5-9-15-24)20-21-30-32(27(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23H,20-22H2,1-4H3/t23-/m0/s1.
What are the key properties of [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane?
[(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane has a molecular weight of 466.72 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(benzenesulfonyl)-3-methylbutoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11113393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).