Molecule

ID:22056

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₃S
Molecular Mass
298.40108
Exact Mass
298.13511357
Charge
0
InChI
InChI=1S/C14H22N2O3S/c1-4-20(17,18)12-5-6-14(13(15)7-12)16-8-10(2)19-11(3)9-16/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKey
UEUZYIDRKXTYFX-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccc(c(c1)N)N1CC(C)OC(C1)C
Isomeric Smiles
c1c(cc(c(c1)N1CC(OC(C1)C)C)N)S(=O)(=O)CC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.2161158
LogD (pH = 7.4)
1.2163165
Log P
1.2163191
Molar Refractivity
81.7683
Polarizability
31.456694
Polar Surface Area
72.63
Rotatable Bonds
3
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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