2-amino-N-cyclohexyl-N-methylethane-1-sulfonamide; oxalic acid

• ChemBase ID: 120840
• Molecular Formular: C11H22N2O6S
• Molecular Mass: 310.36718
• Monoisotopic Mass: 310.11985743
• SMILES: S(=O)(=O)(N(C1CCCCC1)C)CCN.C(=O)(C(=O)O)O
• Canonical SMILES: OC(=O)C(=O)O.NCCS(=O)(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C9H20N2O2S.C2H2O4/c1-11(14(12,13)8-7-10)9-5-3-2-4-6-9;3-1(4)2(5)6/h9H,2-8,10H2,1H3;(H,3,4)(H,5,6)
• InChIKey: MDKALAAIMQQOAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N-methylethane-1-sulfonamide; oxalic acid
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N-methylethanesulfonamide; oxalic acid
• Synonyms: 2-amino-N-cyclohexyl-N-methylethanesulfonamide oxalate

Database IDs

• PubChem SID: 162215193
• PubChem CID: 56763282

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6222954
• LogD (pH = 7.4): -1.0157478
• Log P: 0.06657856
• Molar Refractivity: 56.9481 cm^3
• Polarizability: 23.431305 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: (COOH)2