1-(cyclopropanesulfonyl)piperazine

• ChemBase ID: 118502
• Molecular Formular: C7H14N2O2S
• Molecular Mass: 190.26326
• Monoisotopic Mass: 190.0775987
• SMILES: S(=O)(=O)(N1CCNCC1)C1CC1
• Canonical SMILES: O=S(=O)(C1CC1)N1CCNCC1
• InChI: InChI=1S/C7H14N2O2S/c10-12(11,7-1-2-7)9-5-3-8-4-6-9/h7-8H,1-6H2
• InChIKey: ZLBFRRMSHIALOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropanesulfonyl)piperazine
• IUPAC Traditional name: 1-(cyclopropanesulfonyl)piperazine
• Synonyms: 1-(cyclopropylsulfonyl)piperazine hydrochloride

Database IDs

• MDL Number: MFCD16653430
• PubChem SID: 162098597
• PubChem CID: 45496790

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.516512
• LogD (pH = 7.4): -1.0528529
• Log P: -0.8538828
• Molar Refractivity: 46.0745 cm^3
• Polarizability: 19.051203 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.092

Product Information

• Purity: 95+%
• Salt Data: HCl