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551920-84-4,MFCD02187418
Catalog No.:AA00IUCW
551920-84-4 | N-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]pyrrolidine-1-carboxamide
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1mg
>90%
3 weeks  
$150.00
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5mg
>90%
3 weeks  
$162.00
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10mg
>90%
3 weeks  
$185.00
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500mg
>90%
3 weeks  
$610.00
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1g
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3 weeks  
$1,120.00
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Technical Information
Catalog Number:
AA00IUCW
Chemical Name:
N-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CAS Number:
551920-84-4
Molecular Formula:
C17H25N3O3S
Molecular Weight:
351.4637
MDL Number:
MFCD02187418
IUPAC Name:
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
InChI:
InChI=1S/C17H25N3O3S/c1-14-4-6-16(7-5-14)24(22,23)20-12-8-15(9-13-20)18-17(21)19-10-2-3-11-19/h4-7,15H,2-3,8-13H2,1H3,(H,18,21)
InChI Key:
LIHVLSYMTLHMDF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.162g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.465g/mol
Monoisotopic Mass:
351.162g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
551920-84-4 
N-{1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}-1-pyrrolidinecarboxamide 
MCULE-2778880889 
5R-1128 
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide 
CID3822120 
N-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]pyrrolidine-1-carboxamide 
Bionet1_004461 
AC1MXVPH 
Oprea1_375057 
HMS581L03 
KS-00001XVY 
ZINC6214211 
AKOS005094490 
Literature
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