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1002360-24-8 | 1-Piperidinecarboxylic acid, 3-[[[(4-bromophenyl)sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002360-24-8 Catalog No: AG0001BZ MDL No:
Product Description
Catalog Number:
AG0001BZ
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[[(4-bromophenyl)sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002360-24-8
Molecular Formula:
C17H25BrN2O4S
Molecular Weight:
433.3604
IUPAC Name:
tert-butyl (3S)-3-[[(4-bromophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25BrN2O4S/c1-17(2,3)24-16(21)20-10-4-5-13(12-20)11-19-25(22,23)15-8-6-14(18)7-9-15/h6-9,13,19H,4-5,10-12H2,1-3H3/t13-/m1/s1
InChI Key:
CLFSMSJFZSHDQD-CYBMUJFWSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
548
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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