2-methyl-4-(methylamino)-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1-dione hydrochloride

• ChemBase ID: 55305
• Molecular Formular: C8H13ClN2O2S2
• Molecular Mass: 268.78402
• Monoisotopic Mass: 268.01069735
• SMILES: S1(=O)(=O)c2c(C(CN1C)NC)scc2.Cl
• Canonical SMILES: CNC1CN(C)S(=O)(=O)c2c1scc2.Cl
• InChI: InChI=1S/C8H12N2O2S2.ClH/c1-9-6-5-10(2)14(11,12)7-3-4-13-8(6)7;/h3-4,6,9H,5H2,1-2H3;1H
• InChIKey: FPNJOQPIAGRGPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(methylamino)-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1-dione hydrochloride
• IUPAC Traditional name: 2-methyl-4-(methylamino)-3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1-dione hydrochloride
• Synonyms: N,2-Dimethyl-3,4-dihydro-2H-thieno[2,3-e][1,2]-thiazin-4-amine 1,1-dioxide hydrochloride

Database IDs

• MDL Number: MFCD16036095
• PubChem SID: 162060068
• PubChem CID: 56773542

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4801354
• LogD (pH = 7.4): 0.09569895
• Log P: 0.38610104
• Molar Refractivity: 55.8484 cm^3
• Polarizability: 22.509129 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false