4-Benzylthiomorpholine 1,1-dioxide

C₁₁H₁₅NO₂SCAS 26475-66-1225.31 g/mol

Open in Covalent MOL file

Sulfone Tertiary amine

Properties

Molecular formula: C₁₁H₁₅NO₂S
Molar mass: 225.31 g/mol
Exact mass: 225.0823 Da
logP: 0.92Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

26475-66-1

SMILES

C1CS(=O)(=O)CCN1CC2=CC=CC=C2

InChIKey

KFAMTQFKYUXQKV-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO2S/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2

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Work with 4-Benzylthiomorpholine 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

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % similar 1-Benzylpiperidine2905-56-855 % similar Tribenzylamine620-40-654 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-652 % similar 1-Benzylpiperazine2759-17-352 % similar 1-Benzylpiperazine2759-28-652 % similar 1-Benzyl-4-piperidone3612-20-252 % similar 4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)thiomorpholine 1,1-dioxide1092563-25-151 % similar

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

Same formula

Methiocarb2032-65-7 Ethiofencarb29973-13-5 Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate4506-71-2

Elsewhere

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