4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine

C₁₀H₁₆N₂O₂SCAS 1220028-78-3228.31 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₀H₁₆N₂O₂S
Molar mass: 228.31 g/mol
Exact mass: 228.0932 Da
logP: 1.13Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1220028-78-3

SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)N(C)C)N

InChIKey

VLUQKYVJLARQAI-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N2O2S/c1-4-15(13,14)10-6-5-8(12(2)3)7-9(10)11/h5-7H,4,11H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine

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

N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-272 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-970 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-768 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-268 % similar N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1219957-17-166 % similar N1-Cyclohexyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1220033-94-266 % similar 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-065 % similar N1-Cyclohexyl-N1-ethyl-4-(ethylsulfonyl)-1,3-benzenediamine1219972-64-164 % similar

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

Elsewhere

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