(3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide

• ChemBase ID: 579917
• Molecular Formular: C10H23N3O2S
• Molecular Mass: 249.37352
• Monoisotopic Mass: 249.15109799
• SMILES: S(=O)(=O)(N1C[C@@H]([C@H](C1)CCC)N)N(CC)C
• Canonical SMILES: CCC[C@H]1CN(C[C@@H]1N)S(=O)(=O)N(CC)C
• InChI: InChI=1S/C10H23N3O2S/c1-4-6-9-7-13(8-10(9)11)16(14,15)12(3)5-2/h9-10H,4-8,11H2,1-3H3/t9-,10-/m0/s1
• InChIKey: GGFGAZRHRRPGOR-UWVGGRQHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
• IUPAC Traditional name: (3R,4S)-3-amino-N-ethyl-N-methyl-4-propylpyrrolidine-1-sulfonamide
• Synonyms: (3R*,4S*)-3-amino-N-ethyl-N-methyl-4-propyl-1-pyrrolidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1965325
• LogD (pH = 7.4): -2.175269
• Log P: -0.22011276
• Molar Refractivity: 65.3118 cm^3
• Polarizability: 26.79629 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.13
• LOG S: -1.21
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 3