2-{4-[3-Amino-4-(ethylsulfonyl)phenyl]-1-piperazinyl}-1-ethanol

C₁₄H₂₃N₃O₃SCAS 1220039-23-5313.42 g/mol

Open in Covalent MOL file

Alcohol Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₄H₂₃N₃O₃S
Molar mass: 313.42 g/mol
Exact mass: 313.1460 Da
logP: 0.18Crippen estimate
Polar surface area: 86.9 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5

Identifiers

CAS number

1220039-23-5

SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)N2CCN(CC2)CCO)N

InChIKey

VBTLWJKWEWQXTC-UHFFFAOYSA-N

InChI

InChI=1S/C14H23N3O3S/c1-2-21(19,20)14-4-3-12(11-13(14)15)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,2,5-10,15H2,1H3

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Work with 2-{4-[3-Amino-4-(ethylsulfonyl)phenyl]-1-piperazinyl}-1-ethanol

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)aniline1219972-54-971 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-770 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-270 % similar 5-(4-Benzyl-1-piperazinyl)-2-(ethylsulfonyl)-phenylamine1219957-19-369 % similar 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-067 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-265 % similar 1-[3-Amino-4-(ethylsulfonyl)phenyl]-3-pyrrolidinol1220021-65-760 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-360 % similar

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

Same formula

N-[[Methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-L-valine154212-61-0

Elsewhere

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