Molecule

ID:65377

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₃S
Molecular Mass
274.37968
Exact Mass
274.13511357
Charge
0
InChI
InChI=1S/C12H22N2O3S/c1-11(2,3)17-10(15)14-7-9(8-14)13-18(16)12(4,5)6/h7-8H2,1-6H3
InChIKey
JOBIXWHPZPUSTM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC(=NS(=O)C(C)(C)C)C1)OC(C)(C)C
Isomeric Smiles
C1C(=NS(=O)C(C)(C)C)CN1C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.034007
LogD (pH = 7.4)
2.0340989
Log P
2.0341
Molar Refractivity
70.5232
Polarizability
28.385904
Polar Surface Area
58.97
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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