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1261235-40-8 | 1-Pyrrolidinecarboxylic acid, 3-[[(5-bromo-2-thienyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1261235-40-8 Catalog No: AG000RPI MDL No:
Product Description
Catalog Number:
AG000RPI
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[(5-bromo-2-thienyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1261235-40-8
Molecular Formula:
C13H19BrN2O4S2
Molecular Weight:
411.3350
IUPAC Name:
tert-butyl (3R)-3-[(5-bromothiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H19BrN2O4S2/c1-13(2,3)20-12(17)16-7-6-9(8-16)15-22(18,19)11-5-4-10(14)21-11/h4-5,9,15H,6-8H2,1-3H3/t9-/m1/s1
InChI Key:
BHRXVLNIBDVDDS-SECBINFHSA-N
SMILES:
O=C(N1CC[C@H](C1)NS(=O)(=O)c1ccc(s1)Br)OC(C)(C)C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
409.997g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.329g/mol
Monoisotopic Mass:
409.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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