Molecule

ID:63309

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂S
Molecular Mass
149.21134
Exact Mass
149.0510496
Charge
0
InChI
InChI=1S/C5H11NO2S/c1-9(7,8)5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey
XCEGFNRUBBVHJT-YFKPBYRVSA-N
Canonic Smiles
CS(=O)(=O)[C@@H]1CNCC1
Isomeric Smiles
[C@@H]1(CCNC1)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.5769296
LogD (pH = 7.4)
-3.438221
Log P
-1.4127948
Molar Refractivity
35.4512
Polarizability
14.948934
Polar Surface Area
46.17
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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