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1010090-02-4 | 1-Piperidinecarboxylic acid, 3-[[(2-methoxyphenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1010090-02-4 Catalog No: AG0003HN MDL No:
Product Description
Catalog Number:
AG0003HN
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(2-methoxyphenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1010090-02-4
Molecular Formula:
C17H26N2O5S
Molecular Weight:
370.4637
IUPAC Name:
tert-butyl 3-[(2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H26N2O5S/c1-17(2,3)24-16(20)19-11-7-8-13(12-19)18-25(21,22)15-10-6-5-9-14(15)23-4/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3
InChI Key:
WCYWYRXOHMIJQR-UHFFFAOYSA-N
SMILES:
COc1ccccc1S(=O)(=O)N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.464g/mol
Monoisotopic Mass:
370.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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