structure of 4-Methylsulfonyl-3-(pyrrolidin-1-yl)aniline

4-Methylsulfonyl-3-(pyrrolidin-1-yl)aniline

CAS No.: 1000018-40-5
M. Wt: 240.32200
M. Fa: C11H16N2O2S
InChI Key: AMMYEUZBQIIWPL-UHFFFAOYSA-N

Names and Identifiers of 1000018-40-5

CAS Number

1000018-40-5

MDL Number

MFCD09743724

IUPAC Name

4-methylsulfonyl-3-pyrrolidin-1-ylaniline

InChI

InChI=1S/C11H16N2O2S/c1-16(14,15)11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3

InChIKey

AMMYEUZBQIIWPL-UHFFFAOYSA-N

Canonical SMILES

CS(=O)(=O)C1=CC=C(N)C=C1N1CCCC1

UNSPSC Code

12352100

Physical and chemical properties of 1000018-40-5

Exact Mass

240.09300

LogP

2.99950

Molecular Formula

C11H16N2O2S

Molecular Weight

240.32200

PSA

71.78000

Safety Information of 1000018-40-5

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000018-40-5

4-Methylsulfonyl-3-(pyrrolidin-1-yl)aniline has diverse applications:

  • Chemistry: It serves as a building block for synthesizing more complex organic molecules.
  • Biology: Utilized in enzyme interaction studies and biochemical assays.
  • Industry: Functions as an intermediate in pharmaceutical synthesis and the production of specialty chemicals.

Interaction Studies of 1000018-40-5

Interaction studies focus on how 4-Methylsulfonyl-3-(pyrrolidin-1-yl)aniline interacts with various biological targets. These studies are crucial for understanding its potential therapeutic effects and mechanisms of action. Research indicates that this compound can influence enzyme activity and receptor binding, which may lead to implications in drug development.

Biological Activity of 1000018-40-5

The biological activity of 4-Methylsulfonyl-3-(pyrrolidin-1-yl)aniline is linked to its interaction with specific enzymes or receptors. The methylsulfonyl group can form hydrogen bonds with active site residues, while the pyrrolidinyl group enhances binding affinity through hydrophobic interactions. These interactions can modulate the activity of target proteins, leading to various biological effects that are currently being explored in pharmacological studies.