CAS 55276-43-2 | 1-(Methylsulfonyl)piperazine | CAS Number 55276-43-2

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55276-43-2 | 1-(Methylsulfonyl)piperazine

CAS No: 55276-43-2 Catalog No: AG003EGG MDL No:MFCD02153225

Product Description

Catalog Number:

AG003EGG

Chemical Name:

1-(Methylsulfonyl)piperazine

CAS Number:

55276-43-2

Molecular Formula:

C5H12N2O2S

Molecular Weight:

164.2260

MDL Number:

MFCD02153225

IUPAC Name:

1-methylsulfonylpiperazine

InChI:

InChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3

InChI Key:

ZZAKLGGGMWORRT-UHFFFAOYSA-N

SMILES:

CS(=O)(=O)N1CCNCC1

Properties

Complexity:

188

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.223g/mol

Monoisotopic Mass:

164.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
4-(Methyl-sulfon-yl)piperazin-1-ium chloride.	Acta crystallographica. Section E, Structure reports online 20100201