4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide

C₁₇H₂₆BNO₄SCAS 1092563-25-1351.27 g/mol

Open in Covalent MOL file

Boronic ester Sulfone Tertiary amine

Properties

Molecular formula: C₁₇H₂₆BNO₄S
Molar mass: 351.27 g/mol
Exact mass: 351.1676 Da
logP: 1.22Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Identifiers

CAS number

1092563-25-1

SMILES

CC1(C)OB(c2ccc(CN3CCS(=O)(=O)CC3)cc2)OC1(C)C

InChIKey

PZWLWAYUUJLSJL-UHFFFAOYSA-N

InChI

InChI=1S/C17H26BNO4S/c1-16(2)17(3,4)23-18(22-16)15-7-5-14(6-8-15)13-19-9-11-24(20,21)12-10-19/h5-8H,9-13H2,1-4H3

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Names and synonyms

1 names

Thiomorpholine, 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dioxide

Work with 4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine568577-88-845 % similar 4-Formylphenylboronic acid pinacol ester128376-64-742 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-741 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-239 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-539 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-039 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-239 % similar 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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