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1002360-25-9 | 1-Piperidinecarboxylic acid, 3-[[[(3-bromophenyl)sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1002360-25-9 Catalog No: AG0001BY MDL No:
Product Description
Catalog Number:
AG0001BY
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[[(3-bromophenyl)sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1002360-25-9
Molecular Formula:
C17H25BrN2O4S
Molecular Weight:
433.3604
IUPAC Name:
tert-butyl (3S)-3-[[(3-bromophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25BrN2O4S/c1-17(2,3)24-16(21)20-9-5-6-13(12-20)11-19-25(22,23)15-8-4-7-14(18)10-15/h4,7-8,10,13,19H,5-6,9,11-12H2,1-3H3/t13-/m1/s1
InChI Key:
CFWXAHUDERARNO-CYBMUJFWSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)NC[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
432.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.361g/mol
Monoisotopic Mass:
432.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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