4-[3-Amino-4-(methylsulfonyl)phenyl]-2-piperazinone

C₁₁H₁₅N₃O₃SCAS 1220039-18-8269.32 g/mol

Open in Covalent MOL file

Amide Lactam Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₁H₁₅N₃O₃S
Molar mass: 269.32 g/mol
Exact mass: 269.0834 Da
logP: -0.39Crippen estimate
Polar surface area: 92.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Identifiers

CAS number

1220039-18-8

SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N2CCNC(=O)C2)N

InChIKey

CELRETUYRXUBNB-UHFFFAOYSA-N

InChI

InChI=1S/C11H15N3O3S/c1-18(16,17)10-3-2-8(6-9(10)12)14-5-4-13-11(15)7-14/h2-3,6H,4-5,7,12H2,1H3,(H,13,15)

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

Work with 4-[3-Amino-4-(methylsulfonyl)phenyl]-2-piperazinone

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

4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1220033-60-259 % similar 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-455 % similar 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-453 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-050 % similar 5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(methylsulfonyl)aniline1220039-20-248 % similar N1-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine1220028-73-847 % similar 5-(2-Ethyl-1-piperidinyl)-2-(methylsulfonyl)benzenamine1220021-46-447 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-346 % similar

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

Elsewhere

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