N1-Cyclohexyl-N1-ethyl-4-(ethylsulfonyl)-1,3-benzenediamine

C₁₆H₂₆N₂O₂SCAS 1219972-64-1310.46 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₆H₂₆N₂O₂S
Molar mass: 310.46 g/mol
Exact mass: 310.1715 Da
logP: 3.22Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

1219972-64-1

SMILES

CCN(C1CCCCC1)C2=CC(=C(C=C2)S(=O)(=O)CC)N

InChIKey

AHFPRSWBMQYBOE-UHFFFAOYSA-N

InChI

InChI=1S/C16H26N2O2S/c1-3-18(13-8-6-5-7-9-13)14-10-11-16(15(17)12-14)21(19,20)4-2/h10-13H,3-9,17H2,1-2H3

Weigh it out

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

Work with N1-Cyclohexyl-N1-ethyl-4-(ethylsulfonyl)-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-Cyclohexyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1220033-94-280 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-372 % similar 2-(Ethylsulfonyl)-5-(2-methyl-1-piperidinyl)-aniline1220035-01-768 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-267 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-364 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-264 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-962 % similar N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1219957-17-159 % similar

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

Elsewhere

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