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1190927-73-1 | 1-Piperidinecarboxylic acid, 4-[2-(methylsulfonyl)-4-pyrimidinyl]-, 1,1-dimethylethyl ester
CAS No: 1190927-73-1 Catalog No: AG000I5P MDL No:MFCD11973822
Product Description
Catalog Number:
AG000I5P
Chemical Name:
1-Piperidinecarboxylic acid, 4-[2-(methylsulfonyl)-4-pyrimidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1190927-73-1
Molecular Formula:
C15H23N3O4S
Molecular Weight:
341.4258
MDL Number:
MFCD11973822
IUPAC Name:
tert-butyl 3-(2-methylsulfonylpyrimidin-4-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(19)18-9-5-6-11(10-18)12-7-8-16-13(17-12)23(4,20)21/h7-8,11H,5-6,9-10H2,1-4H3
InChI Key:
AZKAARBNMFKYAA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccnc(n1)S(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.141g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.426g/mol
Monoisotopic Mass:
341.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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