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2-methanesulfonyl-5-(4-methylpiperazin-1-yl)aniline

2-methanesulfonyl-5-(4-methylpiperazin-1-yl)aniline

CAS: 942474-25-1

Formula: C12H19N3O2S

SMILES: CN1CCN(CC1)C1=CC(N)=C(C=C1)S(C)(=O)=O

IUPAC: 2-methanesulfonyl-5-(4-methylpiperazin-1-yl)aniline

InChI: InChI=1S/C12H19N3O2S/c1-14-5-7-15(8-6-14)10-3-4-12(11(13)9-10)18(2,16)17/h3-4,9H,5-8,13H2,1-2H3

Composition: C (53.51%), H (7.11%), N (15.60%), O (11.88%), S (11.90%)

Molar Mass: 269.36

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.119798038
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PBZZYGNLAYOKNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.24
Topological Polar Surface Area 66.64
Polarizability 28.6
Ring Count 2
Rotatable Bond Count 2

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