tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane

C19H33NO3SSi — CID 11269094

IUPACtert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane
SMILESCCCC1C(CO[Si](C)(C)C(C)(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H33NO3SSi/c1-8-9-17-18(14-23-25(6,7)19(3,4)5)20(17)24(21,22)16-12-10-15(2)11-13-16/h10-13,17-18H,8-9,14H2,1-7H3
InChIKeyFJCMEJGTDPQQAN-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.56
Rot. Bonds7

About tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane

tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane (PubChem CID 11269094) has the molecular formula C19H33NO3SSi and a molecular weight of 383.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane
PubChem CID11269094
Molecular FormulaC19H33NO3SSi
Molecular Weight383.63 g/mol
Exact Mass383.20
IUPAC Nametert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane
SMILESCCCC1C(CO[Si](C)(C)C(C)(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H33NO3SSi/c1-8-9-17-18(14-23-25(6,7)19(3,4)5)20(17)24(21,22)16-12-10-15(2)11-13-16/h10-13,17-18H,8-9,14H2,1-7H3
InChIKeyFJCMEJGTDPQQAN-UHFFFAOYSA-N
XLogP4.56
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.56
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-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874
(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
CID 127259597
[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methanol
CID 11334708
(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 7173720
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
2-[(2R,3R)-3-ethyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanol
CID 102091018
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
tert-butyl-[2-[(2S,4R)-4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]-dimethylsilane
CID 102079275
(2S,3R)-N,N-dimethoxy-1-(4-methylphenyl)sulfonyl-3-propylaziridine-2-carboxamide
CID 11221560
(3R,4R)-4-bromo-2-(4-methylphenyl)sulfonyl-3-propyl-1,2-oxazolidine
CID 71615202
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane (CID 11269094) is tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane is CCCC1C(CO[Si](C)(C)C(C)(C)C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane?
The InChIKey is FJCMEJGTDPQQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3SSi/c1-8-9-17-18(14-23-25(6,7)19(3,4)5)20(17)24(21,22)16-12-10-15(2)11-13-16/h10-13,17-18H,8-9,14H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane has a molecular weight of 383.63 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane is sourced from PubChem (CID 11269094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).