Molecule

ID:61806

General Information
Structure
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Molecular Formula
C₄H₁₁NOS
Molecular Mass
121.20124
Exact Mass
121.05613498
Charge
0
InChI
InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3
InChIKey
CESUXLKAADQNTB-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)N)(C)C
Isomeric Smiles
NS(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
16.748573
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3126
LogD (pH = 7.4)
0.3126
Log P
0.3126
Molar Refractivity
30.801
Polarizability
12.858688
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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