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1002360-26-0

1002360-26-0 | 1-Piperidinecarboxylic acid, 3-[[[(2-bromophenyl)sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester, (3S)-

CAS No: 1002360-26-0 Catalog No: AG0001BX MDL No:

Product Description

Catalog Number:
AG0001BX
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[[(2-bromophenyl)sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002360-26-0
Molecular Formula:
C17H25BrN2O4S
Molecular Weight:
433.3604
IUPAC Name:
tert-butyl (3S)-3-[[(2-bromophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25BrN2O4S/c1-17(2,3)24-16(21)20-10-6-7-13(12-20)11-19-25(22,23)15-9-5-4-8-14(15)18/h4-5,8-9,13,19H,6-7,10-12H2,1-3H3/t13-/m1/s1
InChI Key:
MZPNPXYVZGJUSH-CYBMUJFWSA-N
SMILES:
O=C(N1CCC[C@@H](C1)CNS(=O)(=O)c1ccccc1Br)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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