4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine

C13H22N2O2SCAS 1220033-60-2270.39 g/mol

Open in Covalent MOL file
NSOONH2
Primary amineSulfoneTertiary amine

Properties

Molecular formula
C13H22N2O2S
Molar mass
270.39 g/mol
Exact mass
270.1402 Da
logP
2.30Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

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
1220033-60-2
SMILES
CCCN(CCC)c1ccc(S(C)(=O)=O)c(N)c1
InChIKey
NBSNYHNUKSSEDB-UHFFFAOYSA-N
InChI
InChI=1S/C13H22N2O2S/c1-4-8-15(9-5-2)11-6-7-13(12(14)10-11)18(3,16)17/h6-7,10H,4-5,8-9,14H2,1-3H3

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

Names and synonyms

2 names
  • 1,3-Benzenediamine, 4-(methylsulfonyl)-N1,N1-dipropyl-
  • N-[3-Amino-4-(methylsulfonyl)phenyl]-N,N-dipropylamine

Work with 4-(Methylsulfonyl)-N1,N1-dipropyl-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

4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-769 % similar 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-468 % similar 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-462 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-062 % similar 4-[3-Amino-4-(methylsulfonyl)phenyl]-2-piperazinone1220039-18-859 % similar 5-(2-Ethyl-1-piperidinyl)-2-(methylsulfonyl)benzenamine1220021-46-457 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-356 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1219957-17-1 N-[3-(Dipropylamino)phenyl]methanesulfonamide186453-43-0

Elsewhere

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