Molecule

ID:67422

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O₂S
Molecular Mass
178.25256
Exact Mass
178.0775987
Charge
0
InChI
InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3
InChIKey
FLQSRSQNICPZIH-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
N1(CCC(CC1)N)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.894478
LogD (pH = 7.4)
-4.324154
Log P
-1.8767196
Molar Refractivity
43.2421
Polarizability
17.934917
Polar Surface Area
63.4
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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