1-[3-Amino-4-(ethylsulfonyl)phenyl]-3-pyrrolidinol

C12H18N2O3SCAS 1220021-65-7270.35 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
3

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
1220021-65-7
SMILES
CCS(=O)(=O)c1ccc(N2CCC(O)C2)cc1N
InChIKey
ODTNFKGHVBONJO-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2O3S/c1-2-18(16,17)12-4-3-9(7-11(12)13)14-6-5-10(15)8-14/h3-4,7,10,15H,2,5-6,8,13H2,1H3

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Names and synonyms

1 names
  • 3-Pyrrolidinol, 1-[3-amino-4-(ethylsulfonyl)phenyl]-

Work with 1-[3-Amino-4-(ethylsulfonyl)phenyl]-3-pyrrolidinol

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)aniline1219972-54-966 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-765 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-265 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-264 % similar 2-{4-[3-Amino-4-(ethylsulfonyl)phenyl]-1-piperazinyl}-1-ethanol1220039-23-560 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-358 % similar N1-Cyclohexyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1220033-94-257 % similar 2-(Ethylsulfonyl)-5-(2-methyl-1-piperidinyl)-aniline1220035-01-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-4 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-0 Tolbutamide64-77-7

Elsewhere

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