Molecule

ID:88672

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O₂S
Molecular Mass
178.25256
Exact Mass
178.0775987
Charge
0
InChI
InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-5-3-7-4-6-8/h7H,2-6H2,1H3
InChIKey
BIYGAOBOLDXNHM-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)N1CCNCC1
Isomeric Smiles
N1(S(=O)(=O)CC)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.777472
LogD (pH = 7.4)
-1.313804
Log P
-1.1148286
Molar Refractivity
43.4881
Polarizability
17.934917
Polar Surface Area
49.41
Rotatable Bonds
1
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
References
Bioactivity
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