7-(cyclopropylmethyl)-2-(morpholine-4-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 489631
• Molecular Formular: C16H27N3O4S
• Molecular Mass: 357.46828
• Monoisotopic Mass: 357.17222736
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CC3CC3)CCC2)CC1)N1CCOCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)N1CCOCC1)CC1CC1
• InChI: InChI=1S/C16H27N3O4S/c20-15-16(4-1-6-17(15)12-14-2-3-14)5-7-19(13-16)24(21,22)18-8-10-23-11-9-18/h14H,1-13H2
• InChIKey: OAOUVTCKXFJSBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(morpholine-4-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(morpholine-4-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(4-morpholinylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.58261496
• LogD (pH = 7.4): -0.5826138
• Log P: -0.58261377
• Molar Refractivity: 90.0578 cm^3
• Polarizability: 36.10362 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.25
• LOG S: -2.05
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 2