Home Sulfos {2-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}methanamine

{2-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}methanamine

CAS No.:
918865-21-1
Catalog Number:
AG01AIWH
Molecular Formula:
C12H19N3O2S
Molecular Weight:
269.3632
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Product Description
Catalog Number:
AG01AIWH
Chemical Name:
{2-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}methanamine
CAS Number:
918865-21-1
Molecular Formula:
C12H19N3O2S
Molecular Weight:
269.3632
MDL Number:
MFCD09731561
IUPAC Name:
[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
InChI:
InChI=1S/C12H19N3O2S/c1-14-6-8-15(9-7-14)18(16,17)12-5-3-2-4-11(12)10-13/h2-5H,6-10,13H2,1H3
InChI Key:
WXMIOOYURPGNME-UHFFFAOYSA-N
SMILES:
NCc1ccccc1S(=O)(=O)N1CCN(CC1)C
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.12g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.363g/mol
Monoisotopic Mass:
269.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties