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

C₁₅H₂₄N₂O₂SCAS 1220017-67-3296.43 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₅H₂₄N₂O₂S
Molar mass: 296.43 g/mol
Exact mass: 296.1558 Da
logP: 2.83Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

1220017-67-3

SMILES

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

InChIKey

QHKFJSOJQBUNHC-UHFFFAOYSA-N

InChI

InChI=1S/C15H24N2O2S/c1-3-17(12-7-5-4-6-8-12)13-9-10-15(14(16)11-13)20(2,18)19/h9-12H,3-8,16H2,1-2H3

Weigh it out

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

Work with N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-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

5-(2-Ethyl-1-piperidinyl)-2-(methylsulfonyl)benzenamine1220021-46-474 % similar N1-Cyclohexyl-N1-ethyl-4-(ethylsulfonyl)-1,3-benzenediamine1219972-64-172 % similar 4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1220033-60-256 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-056 % similar 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-455 % similar N1-Methyl-4-(methylsulfonyl)-N1-(tetrahydro-2H-pyran-4-ylmethyl)-1,3-benzenediamine1219957-13-754 % similar N1-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine1220028-73-853 % similar 2-(Ethylsulfonyl)-5-(2-methyl-1-piperidinyl)-aniline1220035-01-748 % similar

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

Same formula

N1-Cyclohexyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1220033-94-2

Elsewhere

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