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1010422-22-6 | 1-Piperidinecarboxylic acid, 4-[[(2-methoxyphenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester
CAS No: 1010422-22-6 Catalog No: AG0003LY MDL No:
Product Description
Catalog Number:
AG0003LY
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(2-methoxyphenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1010422-22-6
Molecular Formula:
C17H26N2O5S
Molecular Weight:
370.4637
IUPAC Name:
tert-butyl 4-[(2-methoxyphenyl)sulfonylamino]piperazine-1-carboxylate
InChI:
InChI=1S/C16H25N3O5S/c1-16(2,3)24-15(20)18-9-11-19(12-10-18)17-25(21,22)14-8-6-5-7-13(14)23-4/h5-8,17H,9-12H2,1-4H3
InChI Key:
ATFVMDGEJRTAOA-UHFFFAOYSA-N
SMILES:
COc1ccccc1S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.151g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.452g/mol
Monoisotopic Mass:
371.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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