tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane

C17H29NO3SSi — CID 10450874

IUPACtert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
SMILESCc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO3SSi/c1-13-8-10-15(11-9-13)22(19,20)18-14(2)16(18)12-21-23(6,7)17(3,4)5/h8-11,14,16H,12H2,1-7H3/t14-,16-,18?/m0/s1
InChIKeyRHEODUSXQOEWCW-CCLCZBONSA-N
MW355.58 g/mol
LogP3.78
Rot. Bonds5

About tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane (PubChem CID 10450874) has the molecular formula C17H29NO3SSi and a molecular weight of 355.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
PubChem CID10450874
Molecular FormulaC17H29NO3SSi
Molecular Weight355.58 g/mol
Exact Mass355.16
IUPAC Nametert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
SMILESCc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H29NO3SSi/c1-13-8-10-15(11-9-13)22(19,20)18-14(2)16(18)12-21-23(6,7)17(3,4)5/h8-11,14,16H,12H2,1-7H3/t14-,16-,18?/m0/s1
InChIKeyRHEODUSXQOEWCW-CCLCZBONSA-N
XLogP3.78
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 53.78
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

[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 59051238
tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane
CID 11269094
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 7173720
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
tert-butyl-[2-[(2S,4R)-4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]-dimethylsilane
CID 102079275
[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 58639775
tert-butyl-[[(2S,3S)-3-ethynyl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]methoxy]-dimethylsilane
CID 101044135
tert-butyl-[[(2R,3R)-3-ethynyl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]methoxy]-dimethylsilane
CID 10691987
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175
tert-butyl-[[(2S,3S)-3-ethenyl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]methoxy]-dimethylsilane
CID 10992920

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane (CID 10450874) is tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane is Cc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane?
The InChIKey is RHEODUSXQOEWCW-CCLCZBONSA-N. The full InChI is InChI=1S/C17H29NO3SSi/c1-13-8-10-15(11-9-13)22(19,20)18-14(2)16(18)12-21-23(6,7)17(3,4)5/h8-11,14,16H,12H2,1-7H3/t14-,16-,18?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane has a molecular weight of 355.58 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane is sourced from PubChem (CID 10450874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).