N-(3-{3,9-diazaspiro[5.6]dodecan-9-yl}-3-oxopropyl)-N-methylmethanesulfonamide

• ChemBase ID: 331020
• Molecular Formular: C15H29N3O3S
• Molecular Mass: 331.47406
• Monoisotopic Mass: 331.1929628
• SMILES: S(=O)(=O)(N(CCC(=O)N1CCC2(CCC1)CCNCC2)C)C
• Canonical SMILES: O=C(N1CCCC2(CC1)CCNCC2)CCN(S(=O)(=O)C)C
• InChI: InChI=1S/C15H29N3O3S/c1-17(22(2,20)21)12-4-14(19)18-11-3-5-15(8-13-18)6-9-16-10-7-15/h16H,3-13H2,1-2H3
• InChIKey: WIUNOIUVAGWNLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{3,9-diazaspiro[5.6]dodecan-9-yl}-3-oxopropyl)-N-methylmethanesulfonamide
• IUPAC Traditional name: N-(3-{3,9-diazaspiro[5.6]dodecan-9-yl}-3-oxopropyl)-N-methylmethanesulfonamide
• Synonyms: N-[3-(3,9-diazaspiro[5.6]dodec-9-yl)-3-oxopropyl]-N-methylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.2213807
• LogD (pH = 7.4): -3.7482247
• Log P: -0.99043506
• Molar Refractivity: 87.2568 cm^3
• Polarizability: 34.976597 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.84
• LOG S: -2.33
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3