C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1
Name: 1,1-Dimethylethyl (3S)-4-[(4-chlorophenyl)sulfonyl]-3-methyl-1-piperazinecarboxylate
SMILES: C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C16H23ClN2O4S
Molecular weight
374.89
Exact mass
374.1067
XLogP
2.97
TPSA
66.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
92.61

Supplementary Information

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