Molecule

ID:34144

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂S
Molecular Mass
246.36958
Exact Mass
246.14019895
Charge
0
InChI
InChI=1S/C11H22N2O2S/c1-16(14,15)13-8-4-11(5-9-13)10-2-6-12-7-3-10/h10-12H,2-9H2,1H3
InChIKey
XDTFJXHQMGHGDA-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)N1CCC(CC1)C1CCNCC1
Isomeric Smiles
C1(CCNCC1)C1CCN(CC1)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5904372
LogD (pH = 7.4)
-3.1335878
Log P
-0.35886863
Molar Refractivity
64.9307
Polarizability
26.38249
Polar Surface Area
49.41
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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