CC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1
Name: 3-(4-Isobutoxy-piperidine-1-sulfonyl)-benzoic acid
SMILES: CC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1

Molecular Processing

Molecular formula
C16H23NO5S
Molecular weight
341.43
Exact mass
341.1297
XLogP
2.21
TPSA
83.91
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.97

Supplementary Information

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