4-(4-Methylpiperazine-1-sulfonyl)aniline

C₁₁H₁₇N₃O₂SCAS 21623-68-7255.34 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide Tertiary amine

Properties

Molecular formula: C₁₁H₁₇N₃O₂S
Molar mass: 255.34 g/mol
Exact mass: 255.1041 Da
logP: 0.20Crippen estimate
Polar surface area: 66.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

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

Identifiers

CAS number

21623-68-7

SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N

InChIKey

YEKKOBZSGMPECJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3

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Names and synonyms

1 names

4-[(4-Methylpiperazine-1-)sulfonyl]aniline

Work with 4-(4-Methylpiperazine-1-sulfonyl)aniline

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-(Morpholinosulfonyl)aniline21626-70-064 % similar 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-759 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-450 % similar 1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-044 % similar N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide42137-88-244 % similar 3-(Morpholinosulfonyl)aniline22184-97-043 % similar 4-(Methylsulfonyl)aniline5470-49-542 % similar N-(4-Aminophenyl)-N,4-dimethyl-1-piperazineacetamide262368-30-941 % similar

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

Same formula

1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-0

Elsewhere

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