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1002359-94-5 | 1-Piperidinecarboxylic acid, 3-[[(methylsulfonyl)amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002359-94-5 Catalog No: AG0001C9 MDL No:
Product Description
Catalog Number:
AG0001C9
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(methylsulfonyl)amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002359-94-5
Molecular Formula:
C12H24N2O4S
Molecular Weight:
292.3950
IUPAC Name:
tert-butyl (3S)-3-(methanesulfonamidomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)14-7-5-6-10(9-14)8-13-19(4,16)17/h10,13H,5-9H2,1-4H3/t10-/m1/s1
InChI Key:
AOVBETVUJPUVSZ-SNVBAGLBSA-N
SMILES:
O=C(N1CCC[C@@H](C1)CNS(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.394g/mol
Monoisotopic Mass:
292.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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