(3R,4S)-4-cyclopropyl-1-(morpholine-4-sulfonyl)pyrrolidin-3-amine

• ChemBase ID: 536963
• Molecular Formular: C11H21N3O3S
• Molecular Mass: 275.36774
• Monoisotopic Mass: 275.13036255
• SMILES: S(=O)(=O)(N1C[C@H](C2CC2)[C@H](C1)N)N1CCOCC1
• Canonical SMILES: N[C@H]1CN(C[C@@H]1C1CC1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C11H21N3O3S/c12-11-8-14(7-10(11)9-1-2-9)18(15,16)13-3-5-17-6-4-13/h9-11H,1-8,12H2/t10-,11+/m1/s1
• InChIKey: AGAVEVMZIFFHSM-MNOVXSKESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-4-cyclopropyl-1-(morpholine-4-sulfonyl)pyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-4-cyclopropyl-1-(morpholine-4-sulfonyl)pyrrolidin-3-amine
• Synonyms: (3R*,4S*)-4-cyclopropyl-1-(4-morpholinylsulfonyl)-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.392099
• LogD (pH = 7.4): -3.3643756
• Log P: -1.4166967
• Molar Refractivity: 67.7831 cm^3
• Polarizability: 27.918367 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -2.14
• LOG S: 0.32
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 1