1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol

C12H18N2O3SCAS 1219957-10-4270.35 g/mol

Open in Covalent MOL file
SOONOHH2N
AlcoholPrimary amineSulfoneTertiary amine

Properties

Molecular formula
C12H18N2O3S
Molar mass
270.35 g/mol
Exact mass
270.1038 Da
logP
0.63Crippen estimate
Polar surface area
83.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1219957-10-4
SMILES
CS(=O)(=O)c1ccc(N2CCC(O)CC2)cc1N
InChIKey
MBUBGUCGSALUCG-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2O3S/c1-18(16,17)12-3-2-9(8-11(12)13)14-6-4-10(15)5-7-14/h2-3,8,10,15H,4-7,13H2,1H3

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Names and synonyms

1 names
  • 4-Piperidinol, 1-[3-amino-4-(methylsulfonyl)phenyl]-

Work with 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol

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-benzenediamine1220033-60-268 % similar 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-457 % similar 5-(2-Ethyl-1-piperidinyl)-2-(methylsulfonyl)benzenamine1220021-46-456 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-355 % similar 4-[3-Amino-4-(methylsulfonyl)phenyl]-2-piperazinone1220039-18-855 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-054 % similar N1-Methyl-4-(methylsulfonyl)-N1-(tetrahydro-2H-pyran-4-ylmethyl)-1,3-benzenediamine1219957-13-752 % similar N1-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine1220028-73-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[3-Amino-4-(ethylsulfonyl)phenyl]-3-pyrrolidinol1220021-65-7 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-0 Tolbutamide64-77-7

Elsewhere

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