4-(4-aminopiperidin-1-yl)-1$l^{6}-thiane-1,1-dione dihydrochloride

• ChemBase ID: 55160
• Molecular Formular: C10H22Cl2N2O2S
• Molecular Mass: 305.26488
• Monoisotopic Mass: 304.07790431
• SMILES: C1C(CCN(C1)C1CCS(=O)(=O)CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)C1CCS(=O)(=O)CC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O2S.2ClH/c11-9-1-5-12(6-2-9)10-3-7-15(13,14)8-4-10;;/h9-10H,1-8,11H2;2*1H
• InChIKey: SSWDHNASJBJCMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-aminopiperidin-1-yl)-1$l^{6}-thiane-1,1-dione dihydrochloride
• IUPAC Traditional name: 4-(4-aminopiperidin-1-yl)-1$l^{6}-thiane-1,1-dione dihydrochloride
• Synonyms: 1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-piperidin-4-amine dihydrochloride

Database IDs

• CAS Number: 1156407-08-7
• MDL Number: MFCD13461777
• PubChem SID: 162059923
• PubChem CID: 54759010

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.8556275
• LogD (pH = 7.4): -4.2671914
• Log P: -1.7586094
• Molar Refractivity: 61.1999 cm^3
• Polarizability: 24.928015 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false