(2S)-2-benzyl-N,N-dimethylaziridine-1-sulfonamide

• ChemBase ID: 291203
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: O=S(=O)(N1[C@@H](Cc2ccccc2)C1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1C[C@@H]1Cc1ccccc1)C
• InChI: InChI=1S/C11H16N2O2S/c1-12(2)16(14,15)13-9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-,13?/m0/s1
• InChIKey: BLDWVIFYJWKNPQ-AMGKYWFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-benzyl-N,N-dimethylaziridine-1-sulfonamide
• IUPAC Traditional name: (2S)-2-benzyl-N,N-dimethylaziridine-1-sulfonamide
• Synonyms: (S)-2-Benzyl-N,N-dimethylaziridine-1-sulfonamide

Database IDs

• CAS Number: 902146-43-4
• MDL Number: MFCD20040341
• PubChem SID: 180676734
• PubChem CID: 11665891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8047755
• LogD (pH = 7.4): 0.8047768
• Log P: 0.8047768
• Molar Refractivity: 63.4972 cm^3
• Polarizability: 25.645977 Å^3
• Polar Surface Area: 40.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%