[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane

C15H24O3SSi — CID 134878414

IUPAC[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C[C@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O3SSi/c1-15(2,3)20(4,5)11-13-14(18-13)19(16,17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14+/m1/s1
InChIKeyDCKJSJSUUWQPGC-KGLIPLIRSA-N
MW312.51 g/mol
LogP3.69
Rot. Bonds4

About [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane

[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane (PubChem CID 134878414) has the molecular formula C15H24O3SSi and a molecular weight of 312.51 g/mol. Its IUPAC name is [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane
PubChem CID134878414
Molecular FormulaC15H24O3SSi
Molecular Weight312.51 g/mol
Exact Mass312.12
IUPAC Name[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C[C@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O3SSi/c1-15(2,3)20(4,5)11-13-14(18-13)19(16,17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14+/m1/s1
InChIKeyDCKJSJSUUWQPGC-KGLIPLIRSA-N
XLogP3.69
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
2-Ethoxyethylsulfonylbenzene
CID 44377531
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
AG-G-90643
CID 2724975
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
2-[(Phenylsulfinyl)methyl]oxirane
CID 545144
tert-Butyl o-trimethylsilylphenyl sulfone
CID 546648
Pokqvywtzkeiiy-uhfffaoysa-
CID 11100654
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane (CID 134878414) is [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)C[C@H]1O[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane?
The InChIKey is DCKJSJSUUWQPGC-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24O3SSi/c1-15(2,3)20(4,5)11-13-14(18-13)19(16,17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane?
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane has a molecular weight of 312.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane is sourced from PubChem (CID 134878414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).