CC1CC(=O)CC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C
Nom: (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidin-4-one
SMILES: CC1CC(=O)CC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C

Molecular Processing

Molecular formula
C13H16ClNO3S
Molecular weight
301.8
Exact mass
301.0539
XLogP
2.47
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.64

Supplementary Information

InChIKey: KUZYDTQXQPQBJX-AOOOYVTPSA-N
Synonymes
SCHEMBL3066755KUZYDTQXQPQBJX-AOOOYVTPSA-Ncis-1-(4-chlorophenylsulfonyl)-2,6-dimethylpiperidin-4-one
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→