名称: (S)-3-(6-(Methylsulfonyl)pyridin-3-ylamino)-1-(piperidin-4-yl)pyrrolidin-2-one
SMILES:
CS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCNCC3)C2=O)cn1Molecular Processing
Molecular formula
C15H22N4O3S
Molecular weight
338.43
Exact mass
338.1413
XLogP
0.25
TPSA
91.4
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
86.98
Supplementary Information
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