200,000+ products from a single source!
sales@angenechem.com
887589-99-3 | 1-Piperidinecarboxylicacid, 4-[(3-cyanophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887589-99-3 Catalog No: AG004DEN MDL No:
Product Description
Catalog Number:
AG004DEN
Chemical Name:
1-Piperidinecarboxylicacid, 4-[(3-cyanophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887589-99-3
Molecular Formula:
C17H22N2O4S
Molecular Weight:
350.4326
IUPAC Name:
tert-butyl 4-(3-cyanophenyl)sulfonylpiperidine-1-carboxylate
InChI:
InChI=1S/C17H22N2O4S/c1-17(2,3)23-16(20)19-9-7-14(8-10-19)24(21,22)15-6-4-5-13(11-15)12-18/h4-6,11,14H,7-10H2,1-3H3
InChI Key:
HDGOTGHJOSVHDL-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.433g/mol
Monoisotopic Mass:
350.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.