N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine

C₁₂H₂₀N₂O₂SCAS 1220028-93-2256.36 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₂H₂₀N₂O₂S
Molar mass: 256.36 g/mol
Exact mass: 256.1245 Da
logP: 1.91Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

1220028-93-2

SMILES

CCN(CC)C1=CC(=C(C=C1)S(=O)(=O)CC)N

InChIKey

HOMYNQMNPROKSU-UHFFFAOYSA-N

InChI

InChI=1S/C12H20N2O2S/c1-4-14(5-2)10-7-8-12(11(13)9-10)17(15,16)6-3/h7-9H,4-6,13H2,1-3H3

Weigh it out

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

Work with N1,N1-Diethyl-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

2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-977 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-775 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-275 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-372 % similar 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-071 % similar N1-Cyclohexyl-N1-ethyl-4-(ethylsulfonyl)-1,3-benzenediamine1219972-64-167 % similar 2-{4-[3-Amino-4-(ethylsulfonyl)phenyl]-1-piperazinyl}-1-ethanol1220039-23-565 % similar 1-[3-Amino-4-(ethylsulfonyl)phenyl]-3-pyrrolidinol1220021-65-764 % similar

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

Elsewhere

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