1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone

C17H26O5SSi — CID 10248611

IUPAC1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone
SMILESCC(=O)[C@]1(S(=O)(=O)c2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H26O5SSi/c1-13(18)17(23(19,20)14-10-8-7-9-11-14)15(22-17)12-21-24(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3/t15-,17-/m1/s1
InChIKeyJIBWFLCUEIKKDL-NVXWUHKLSA-N
MW370.54 g/mol
LogP3.17
Rot. Bonds6

About 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone

1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone (PubChem CID 10248611) has the molecular formula C17H26O5SSi and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone
PubChem CID10248611
Molecular FormulaC17H26O5SSi
Molecular Weight370.54 g/mol
Exact Mass370.13
IUPAC Name1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone
SMILESCC(=O)[C@]1(S(=O)(=O)c2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H26O5SSi/c1-13(18)17(23(19,20)14-10-8-7-9-11-14)15(22-17)12-21-24(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3/t15-,17-/m1/s1
InChIKeyJIBWFLCUEIKKDL-NVXWUHKLSA-N
XLogP3.17
TPSA72.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate
CID 134953576
1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethylpropan-1-one
CID 10341618
[(2R,3R)-3-(benzenesulfonyl)-3-prop-2-enyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10406752
(4S,5S,6R)-2-(benzenesulfonyl)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 10675445
(4R,5S,6R)-2-(benzenesulfonyl)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 10722636
(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one
CID 10814805
[(1R)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
CID 10926778
[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
CID 11003201
[(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
CID 11057737
(2S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyl-2-phenylsulfanyloxan-3-one
CID 11292012
(4R,5R,6R)-2-(benzenesulfonyl)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11767346
[(1S)-1-[(2S)-2-(benzenesulfonyl)oxiran-2-yl]butoxy]-tri(propan-2-yl)silane
CID 14940919

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone (CID 10248611) is 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone is CC(=O)[C@]1(S(=O)(=O)c2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone?
The InChIKey is JIBWFLCUEIKKDL-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H26O5SSi/c1-13(18)17(23(19,20)14-10-8-7-9-11-14)15(22-17)12-21-24(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3/t15-,17-/m1/s1.
What are the key properties of 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone?
1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone has a molecular weight of 370.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone is sourced from PubChem (CID 10248611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).