structure of 1-[(2-Methyl-4-methylsulfonyl-6-nitro)phenyl]piperazine

1-[(2-Methyl-4-methylsulfonyl-6-nitro)phenyl]piperazine

CAS No.: 1000018-29-0
M. Wt: 299.346
M. Fa: C12H17N3O4S
InChI Key: QPJJKMMOKHYSIW-UHFFFAOYSA-N

Names and Identifiers of 1000018-29-0

CAS Number

1000018-29-0

MDL Number

MFCD09264541

IUPAC Name

1-(2-methyl-4-methylsulfonyl-6-nitrophenyl)piperazine

InChI

InChI=1S/C12H17N3O4S/c1-9-7-10(20(2,18)19)8-11(15(16)17)12(9)14-5-3-13-4-6-14/h7-8,13H,3-6H2,1-2H3

InChIKey

QPJJKMMOKHYSIW-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(S(C)(=O)=O)=CC([N+](=O)[O-])=C1N1CCNCC1

UNSPSC Code

12352100

Physical and chemical properties of 1000018-29-0

Boiling Point

544.7±50.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

299.093964

Flash Point

283.2±30.1 °C

Index of Refraction

1.572

LogP

1.05

Melting Point

166 to 168°C

Molecular Formula

C12H17N3O4S

Molecular Weight

299.346

Vapour Pressure

0.0±1.5 mmHg at 25°C

Safety Information of 1000018-29-0

Pictograms

Signal Word

 Warning

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

Applications of 1000018-29-0

1-[2-Methyl-4-(methylsulphonyl)-6-nitrophenyl]piperazine has potential applications in:

  • Pharmaceutical Development: As a lead compound for developing new analgesics or anti-inflammatory drugs due to its biological activity.
  • Chemical Research: Used as a reagent in organic synthesis, particularly in the preparation of other complex molecules.

Interaction Studies of 1000018-29-0

Studies have shown that this compound interacts with various biological targets, including enzymes involved in metabolic pathways. Its ability to inhibit specific enzymes suggests potential therapeutic applications, particularly in pain relief and inflammation reduction. Further exploration into its interaction with cellular receptors could provide insight into its mechanisms of action.

Biological Activity of 1000018-29-0

Research indicates that 1-[2-Methyl-4-(methylsulphonyl)-6-nitrophenyl]piperazine exhibits significant biological activities. It interacts with specific molecular targets, such as enzymes and receptors, potentially inhibiting enzyme activity by binding to active or allosteric sites. This modulation can affect various signal transduction pathways, thereby influencing cellular responses. Its antinociceptive properties have also been explored, suggesting potential applications in pain management.