CAS 1000018-38-1

3-(Hexahydro-1H-azepin-1-yl)-4-(methylsulfonyl)benzenamine

Description:

3-(Hexahydro-1H-azepin-1-yl)-4-(methylsulfonyl)benzenamine, with the CAS number 1000018-38-1, is a chemical compound characterized by its unique structure, which includes a hexahydro-1H-azepine ring and a methylsulfonyl group attached to a benzene ring. This compound is typically classified as an amine due to the presence of an amino group (-NH2) on the benzene ring. Its molecular structure suggests potential applications in pharmaceuticals, particularly in the development of drugs targeting neurological or psychiatric conditions, given the azepine moiety's relevance in medicinal chemistry. The methylsulfonyl group may enhance solubility and bioavailability, making it a valuable component in drug design. Additionally, the compound's properties, such as solubility, stability, and reactivity, can be influenced by the functional groups present, which may also affect its interaction with biological systems. Overall, this compound represents a class of organic molecules with potential therapeutic applications, warranting further investigation into its pharmacological properties and mechanisms of action.

Formula: C₁₃H₂₀N₂O₂S

InChI: InChI=1S/C13H20N2O2S/c1-18(16,17)13-7-6-11(14)10-12(13)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3

InChI key: InChIKey=ABWKOIXHQDAFHG-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=C(C=C(N)C=C1)N2CCCCCC2

Synonyms:

• Benzenamine, 3-(hexahydro-1H-azepin-1-yl)-4-(methylsulfonyl)-
• 3-(Hexahydro-1H-azepin-1-yl)-4-(methylsulfonyl)benzenamine