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1422062-74-5 | 2-(2-methoxyethyl)-2H-spiro[benzo[d]isothiazole-3,3'-pyrrolidine] 1,1-dioxide
CAS No: 1422062-74-5 Catalog No: AG01DIT9 MDL No:
Product Description
Catalog Number:
AG01DIT9
Chemical Name:
2-(2-methoxyethyl)-2H-spiro[benzo[d]isothiazole-3,3'-pyrrolidine] 1,1-dioxide
CAS Number:
1422062-74-5
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
IUPAC Name:
2-(2-methoxyethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
InChI:
InChI=1S/C13H18N2O3S/c1-18-9-8-15-13(6-7-14-10-13)11-4-2-3-5-12(11)19(15,16)17/h2-5,14H,6-10H2,1H3
InChI Key:
HLKDQHNHHLSWNE-UHFFFAOYSA-N
SMILES:
COCCN1C2(CNCC2)c2c(S1(=O)=O)cccc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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