Molecule

ID:18608

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O₂S
Molecular Mass
164.22598
Exact Mass
164.06194863
Charge
0
InChI
InChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3
InChIKey
GQBCUVUIZMAQCO-UHFFFAOYSA-N
Canonic Smiles
NNC1(C)CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(CC1)(NN)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.852786
LogD (pH = 7.4)
-1.7509149
Log P
-1.749454
Molar Refractivity
50.0849
Polarizability
16.288404
Polar Surface Area
72.19
Rotatable Bonds
1
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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