structure of 3-(3-Methylpiperidin-1-yl)-4-methylsulfonylaniline

3-(3-Methylpiperidin-1-yl)-4-methylsulfonylaniline

CAS No.: 1000018-39-2
M. Wt: 268.37500
M. Fa: C13H20N2O2S
InChI Key: CFXUFCWEYPFZRN-UHFFFAOYSA-N

Names and Identifiers of 1000018-39-2

CAS Number

1000018-39-2

MDL Number

MFCD09743723

IUPAC Name

3-(3-methylpiperidin-1-yl)-4-methylsulfonylaniline

InChI

InChI=1S/C13H20N2O2S/c1-10-4-3-7-15(9-10)12-8-11(14)5-6-13(12)18(2,16)17/h5-6,8,10H,3-4,7,9,14H2,1-2H3

InChIKey

CFXUFCWEYPFZRN-UHFFFAOYSA-N

Canonical SMILES

CC1CCCN(C1)C2=C(C=CC(=C2)N)S(=O)(=O)C

UNSPSC Code

12352100

Physical and chemical properties of 1000018-39-2

Exact Mass

268.12500

LogP

3.63560

Molecular Formula

C13H20N2O2S

Molecular Weight

268.37500

PSA

71.78000

Safety Information of 1000018-39-2

Pictograms

Signal Word

 Warning

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

Applications of 1000018-39-2

The applications of 3-(3-Methylpiperidin-1-yl)-4-methylsulfonylaniline span various fields:

  • Pharmaceutical Development: As a potential lead compound for drug development targeting neurological disorders.
  • Chemical Research: Utilized in synthetic chemistry for developing more complex molecules.
  • Biochemical Studies: Employed in proteomics research to understand protein interactions and functions.

Interaction Studies of 1000018-39-2

Interaction studies involving this compound focus on its binding affinity to specific receptors or enzymes. Preliminary data suggest that it may interact with neurotransmitter systems, although detailed mechanisms remain to be elucidated. Such studies are crucial for determining its pharmacological profile and therapeutic potential.

Biological Activity of 1000018-39-2

This compound has shown potential biological activity, particularly in pharmacological contexts. Its structure suggests that it may interact with various biological targets, including receptors and enzymes involved in neurotransmission and other physiological processes. Specific studies have indicated that compounds with similar structures may exhibit anti-inflammatory and analgesic properties.