Molecule

ID:70588

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₂S
Molecular Mass
137.20064
Exact Mass
137.0510496
Charge
0
InChI
InChI=1S/C4H11NO2S/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)
InChIKey
GWJSQKNYHPYZRN-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)(=O)N)(C)C
Isomeric Smiles
CC(C)(S(=O)(=O)N)C
Calculated Properties
JChem
Acid pKa
12.505249
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.024722254
LogD (pH = 7.4)
-0.024725234
Log P
-0.024722215
Molar Refractivity
32.2439
Polarizability
13.4633255
Polar Surface Area
60.16
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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