Molecule

ID:51226

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₃S
Molecular Mass
181.2532
Exact Mass
181.07726435
Charge
0
InChI
InChI=1S/C6H15NO3S/c1-6(2,5-8)4-7-11(3,9)10/h7-8H,4-5H2,1-3H3
InChIKey
HOYGFODWEPYYHR-UHFFFAOYSA-N
Canonic Smiles
OCC(CNS(=O)(=O)C)(C)C
Isomeric Smiles
S(=O)(=O)(NCC(CO)(C)C)C
Calculated Properties
JChem
Acid pKa
10.985789
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9700418
LogD (pH = 7.4)
-0.97014046
Log P
-0.97004056
Molar Refractivity
42.8806
Polarizability
17.788055
Polar Surface Area
66.4
Rotatable Bonds
3
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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