[(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane

C19H24O4SSi — CID 134997163

IUPAC[(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@@]1(S(=O)(=O)c2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H24O4SSi/c1-25(2,3)19(24(20,21)17-12-8-5-9-13-17)18(23-19)15-22-14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyLGIAYNMMBHWTKW-RTBURBONSA-N
MW376.55 g/mol
LogP3.65
Rot. Bonds7

About [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane

[(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane (PubChem CID 134997163) has the molecular formula C19H24O4SSi and a molecular weight of 376.55 g/mol. Its IUPAC name is [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
PubChem CID134997163
Molecular FormulaC19H24O4SSi
Molecular Weight376.55 g/mol
Exact Mass376.12
IUPAC Name[(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@@]1(S(=O)(=O)c2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H24O4SSi/c1-25(2,3)19(24(20,21)17-12-8-5-9-13-17)18(23-19)15-22-14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyLGIAYNMMBHWTKW-RTBURBONSA-N
XLogP3.65
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyoctan-3-ol
CID 102270642
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxydodecan-3-ol
CID 135062260
4-(Benzenesulfonyl)-4-fluoro-1-phenylmethoxyheptadecan-3-ol
CID 135062265
[(2S,3S)-3-phenyloxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10946652
[(2R,3R)-3-phenyloxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 11109479
(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane
CID 11379943
Oxirane, 2-phenyl-3-(phenylsulfonyl)-
CID 11623059
2-(Benzenesulfonyl)-3-(2-fluorophenyl)-2-prop-2-enyloxirane
CID 85707859
4-Ethyl-2-(phenylmethoxy-methyl)-4-[[3-(trifluoromethyl)phenyl]sulfonyl]-tetrahydro-pyran
CID 118434349
2-(Benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane
CID 139704095
Toluene-4-sulfonic acid, 2-benzyloxy-1-methylethyl ester
CID 562182
2-(Benzenesulfonyl)-2-methyl-3-phenyloxirane
CID 12485677

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane?
The IUPAC name of [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane (CID 134997163) is [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane?
The canonical SMILES for [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane is C[Si](C)(C)[C@@]1(S(=O)(=O)c2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane?
The InChIKey is LGIAYNMMBHWTKW-RTBURBONSA-N. The full InChI is InChI=1S/C19H24O4SSi/c1-25(2,3)19(24(20,21)17-12-8-5-9-13-17)18(23-19)15-22-14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane?
[(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane has a molecular weight of 376.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 134997163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).