Molecule

ID:40072

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₄S
Molecular Mass
221.274
Exact Mass
221.07217897
Charge
0
InChI
InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3
InChIKey
KWVBKMSCALADDC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCS(=O)(=O)CC1
Isomeric Smiles
S1(=O)(=O)CCN(CC(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.1688057
LogD (pH = 7.4)
-1.1687887
Log P
-1.1687884
Molar Refractivity
51.1922
Polarizability
21.30355
Polar Surface Area
63.68
Rotatable Bonds
4
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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