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89151-55-3 | Piperidine, 4-[2-(1,1-dioxido-2-isothiazolidinyl)ethyl]-, monoacetate
CAS No: 89151-55-3 Catalog No: AG003WZ4 MDL No:
Product Description
Catalog Number:
AG003WZ4
Chemical Name:
Piperidine, 4-[2-(1,1-dioxido-2-isothiazolidinyl)ethyl]-, monoacetate
CAS Number:
89151-55-3
Molecular Formula:
C12H24N2O4S
Molecular Weight:
292.3950
IUPAC Name:
acetic acid;2-(2-piperidin-4-ylethyl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C10H20N2O2S.C2H4O2/c13-15(14)9-1-7-12(15)8-4-10-2-5-11-6-3-10;1-2(3)4/h10-11H,1-9H2;1H3,(H,3,4)
InChI Key:
XXMXTJNNDZNSPB-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1CCC1CCNCC1.CC(=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.394g/mol
Monoisotopic Mass:
292.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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