Molecule

ID:131961

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₃S
Molecular Mass
181.2532
Exact Mass
181.07726435
Charge
0
InChI
InChI=1S/C6H15N.O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;
InChIKey
YYHPEVZFVMVUNJ-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)=O.CCN(CC)CC
Isomeric Smiles
CCN(CC)CC.O=S(=O)=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.2147028
LogD (pH = 7.4)
-1.4690653
Log P
1.2605933
Molar Refractivity
34.2339
Polarizability
13.342089
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation