N1-Methyl-4-(methylsulfonyl)-N1-(tetrahydro-2H-pyran-4-ylmethyl)-1,3-benzenediamine

C₁₄H₂₂N₂O₃SCAS 1219957-13-7298.40 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₄H₂₂N₂O₃S
Molar mass: 298.40 g/mol
Exact mass: 298.1351 Da
logP: 1.54Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

1219957-13-7

SMILES

CN(CC1CCOCC1)C2=CC(=C(C=C2)S(=O)(=O)C)N

InChIKey

INLJRORVZYTJNZ-UHFFFAOYSA-N

InChI

InChI=1S/C14H22N2O3S/c1-16(10-11-5-7-19-8-6-11)12-3-4-14(13(15)9-12)20(2,17)18/h3-4,9,11H,5-8,10,15H2,1-2H3

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Work with N1-Methyl-4-(methylsulfonyl)-N1-(tetrahydro-2H-pyran-4-ylmethyl)-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-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine1220028-73-859 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-354 % similar 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-452 % similar 4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1220033-60-250 % similar 5-(2-Ethyl-1-piperidinyl)-2-(methylsulfonyl)benzenamine1220021-46-449 % similar 5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(methylsulfonyl)aniline1220039-20-246 % similar 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-445 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-045 % similar

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

Elsewhere

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