Molecule

ID:31590

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂S
Molecular Mass
214.28466
Exact Mass
214.0775987
Charge
0
InChI
InChI=1S/C9H14N2O2S/c1-11(2)14(12,13)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3
InChIKey
XSKLMWLTOSBDGW-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)CN)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8097758
LogD (pH = 7.4)
-1.7070649
Log P
0.15239716
Molar Refractivity
56.4827
Polarizability
22.651413
Polar Surface Area
63.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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