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1153761-36-4 | 4-Piperidinecarboxylic acid, 1-[[(3-aminophenyl)amino]sulfonyl]-, methyl ester
CAS No: 1153761-36-4 Catalog No: AG000GNJ MDL No:
Product Description
Catalog Number:
AG000GNJ
Chemical Name:
4-Piperidinecarboxylic acid, 1-[[(3-aminophenyl)amino]sulfonyl]-, methyl ester
CAS Number:
1153761-36-4
Molecular Formula:
C13H19N3O4S
Molecular Weight:
313.3727
IUPAC Name:
methyl 1-[(3-aminophenyl)sulfamoyl]piperidine-4-carboxylate
InChI:
InChI=1S/C13H19N3O4S/c1-20-13(17)10-5-7-16(8-6-10)21(18,19)15-12-4-2-3-11(14)9-12/h2-4,9-10,15H,5-8,14H2,1H3
InChI Key:
WMQQIXAPFOXQGV-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)S(=O)(=O)Nc1cccc(c1)N
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.372g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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