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1000018-25-6 | 4-Piperidinecarboxylic acid, 1-[[[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, ethyl ester
CAS No: 1000018-25-6 Catalog No: AG000092 MDL No:MFCD09864838
Product Description
Catalog Number:
AG000092
Chemical Name:
4-Piperidinecarboxylic acid, 1-[[[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, ethyl ester
CAS Number:
1000018-25-6
Molecular Formula:
C13H24N2O6S
Molecular Weight:
336.4045
MDL Number:
MFCD09864838
IUPAC Name:
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]piperidine-4-carboxylate
InChI:
InChI=1S/C13H24N2O6S/c1-5-20-11(16)10-6-8-15(9-7-10)22(18,19)14-12(17)21-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChI Key:
HWLHFRDIBQJGNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)S(=O)(=O)NC(=O)OC(C)(C)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.403g/mol
Monoisotopic Mass:
336.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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