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1-benzyl-4-methanesulfonylpiperazine

1-benzyl-4-methanesulfonylpiperazine

CAS: 118546-61-5

Formula: C12H18N2O2S

SMILES: CS(=O)(=O)N1CCN(CC2=CC=CC=C2)CC1

IUPAC: 1-benzyl-4-methanesulfonylpiperazine

InChI: InChI=1S/C12H18N2O2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3

Composition: C (56.67%), H (7.13%), N (11.01%), O (12.58%), S (12.60%)

Molar Mass: 254.35

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 254.108899002
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CKKQEWFEZNDPLJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.52
Topological Polar Surface Area 40.62
Polarizability 27.48
Ring Count 2
Rotatable Bond Count 2

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