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1233953-03-1 | 1-Piperidinecarboxylic acid, 4-[(phenylsulfonyl)amino]-, 1,1-dimethylethyl ester
CAS No: 1233953-03-1 Catalog No: AG000KIF MDL No:MFCD14156052
Product Description
Catalog Number:
AG000KIF
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(phenylsulfonyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1233953-03-1
Molecular Formula:
C16H24N2O4S
Molecular Weight:
340.4378
MDL Number:
MFCD14156052
IUPAC Name:
tert-butyl 4-(benzenesulfonamido)piperidine-1-carboxylate
InChI:
InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)18-11-9-13(10-12-18)17-23(20,21)14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3
InChI Key:
YWLMTFLSICVBFN-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NS(=O)(=O)c1ccccc1)OC(C)(C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.438g/mol
Monoisotopic Mass:
340.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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