N,N-bis(prop-2-en-1-yl)-2-[4-(pyrrolidine-1-sulfonyl)piperazin-1-yl]acetamide

• ChemBase ID: 359408
• Molecular Formular: C16H28N4O3S
• Molecular Mass: 356.48352
• Monoisotopic Mass: 356.18821178
• SMILES: S(=O)(=O)(N1CCN(CC(=O)N(CC=C)CC=C)CC1)N1CCCC1
• Canonical SMILES: C=CCN(C(=O)CN1CCN(CC1)S(=O)(=O)N1CCCC1)CC=C
• InChI: InChI=1S/C16H28N4O3S/c1-3-7-18(8-4-2)16(21)15-17-11-13-20(14-12-17)24(22,23)19-9-5-6-10-19/h3-4H,1-2,5-15H2
• InChIKey: RTFOHWDPERYOJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(prop-2-en-1-yl)-2-[4-(pyrrolidine-1-sulfonyl)piperazin-1-yl]acetamide
• IUPAC Traditional name: N,N-bis(prop-2-en-1-yl)-2-[4-(pyrrolidine-1-sulfonyl)piperazin-1-yl]acetamide
• Synonyms: N,N-diallyl-2-[4-(pyrrolidin-1-ylsulfonyl)piperazin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.44879693
• LogD (pH = 7.4): -0.26570395
• Log P: -0.26279014
• Molar Refractivity: 96.0451 cm^3
• Polarizability: 37.850113 Å^3
• Polar Surface Area: 64.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.95
• LOG S: -3.46
• Polar Surface Area: 64.17 Å^2
• Rotatable Bonds: 6