Molecule

ID:16580

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₃S
Molecular Mass
262.36898
Exact Mass
262.13511357
Charge
0
InChI
InChI=1S/C11H22N2O3S/c14-17(15)9-2-11(10-17)12-3-1-4-13-5-7-16-8-6-13/h11-12H,1-10H2
InChIKey
SETQMGXGFXNVLG-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCC(C1)NCCCN1CCOCC1
Isomeric Smiles
C1(CCS(=O)(=O)C1)NCCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-4.6091757
LogD (pH = 7.4)
-3.0416067
Log P
-1.5526911
Molar Refractivity
67.2034
Polarizability
27.48064
Polar Surface Area
58.64
Rotatable Bonds
5
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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