(1S,9S)-N,N-dimethyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-sulfonamide

• ChemBase ID: 204050
• Molecular Formular: C13H19N3O3S
• Molecular Mass: 297.37326
• Monoisotopic Mass: 297.11471248
• SMILES: S(=O)(=O)(N1C[C@H]2c3n(c(=O)ccc3)C[C@@H](C1)C2)N(C)C
• Canonical SMILES: O=c1cccc2n1C[C@@H]1C[C@H]2CN(C1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C13H19N3O3S/c1-14(2)20(18,19)15-7-10-6-11(9-15)12-4-3-5-13(17)16(12)8-10/h3-5,10-11H,6-9H2,1-2H3
• InChIKey: OLLZKQDUKMRDKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,9S)-N,N-dimethyl-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-diene-11-sulfonamide
• IUPAC Traditional name: (1S,9S)-N,N-dimethyl-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-diene-11-sulfonamide

Database IDs

• PubChem SID: 164259960
• PubChem CID: 1767624

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1835761
• LogD (pH = 7.4): -1.1835748
• Log P: -1.1835748
• Molar Refractivity: 78.6633 cm^3
• Polarizability: 30.099731 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds