1-(pyrrolidine-1-sulfonyl)piperazine

• ChemBase ID: 309022
• Molecular Formular: C8H17N3O2S
• Molecular Mass: 219.30448
• Monoisotopic Mass: 219.1041478
• SMILES: S(=O)(=O)(N1CCNCC1)N1CCCC1
• Canonical SMILES: O=S(=O)(N1CCCC1)N1CCNCC1
• InChI: InChI=1S/C8H17N3O2S/c12-14(13,10-5-1-2-6-10)11-7-3-9-4-8-11/h9H,1-8H2
• InChIKey: FAIWKSJXVXAVTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidine-1-sulfonyl)piperazine
• IUPAC Traditional name: 1-(pyrrolidine-1-sulfonyl)piperazine
• Synonyms: 1-(1-pyrrolidinylsulfonyl)piperazine

Database IDs

• CAS Number: 923681-40-7
• MDL Number: MFCD08444720

CALCULATED PROPERTIES

• Log P: -1.2267306
• Molar Refractivity: 54.7248 cm^3
• Polarizability: 22.410404 Å^3
• Polar Surface Area: 52.65 Å^2
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8855307
• LogD (pH = 7.4): -1.4242284