CS(=O)(=O)c1ccc(OCc2ccc(C3CCNCC3)cn2)cc1
Name: 2-[(4-methylsulfonylphenoxy)methyl]-5-piperidin-4-ylpyridine
SMILES: CS(=O)(=O)c1ccc(OCc2ccc(C3CCNCC3)cn2)cc1

Molecular Processing

Molecular formula
C18H22N2O3S
Molecular weight
346.45
Exact mass
346.1351
XLogP
2.53
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
92.97

Supplementary Information

InChIKey: QHLOEISDRAXEAU-UHFFFAOYSA-N
Synonyme
SCHEMBL1577587QHLOEISDRAXEAU-UHFFFAOYSA-N4-[2-(4-methanesulfonylphenoxy-methyl)pyridin-5-yl]piperidine4-[2-(4-Methanesulfonylphenoxymethyl)pyridin-5-yl]piperidine
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