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1016767-90-0 | 2-(piperidin-3-yl)isothiazolidine 1,1-dioxide
CAS No: 1016767-90-0 Catalog No: AG01BF3S MDL No:MFCD09934852
Product Description
Catalog Number:
AG01BF3S
Chemical Name:
2-(piperidin-3-yl)isothiazolidine 1,1-dioxide
CAS Number:
1016767-90-0
Molecular Formula:
C8H16N2O2S
Molecular Weight:
204.2898
MDL Number:
MFCD09934852
IUPAC Name:
2-piperidin-3-yl-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C8H16N2O2S/c11-13(12)6-2-5-10(13)8-3-1-4-9-7-8/h8-9H,1-7H2
InChI Key:
QYYIFPAGOZABRS-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1C1CCCNC1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.288g/mol
Monoisotopic Mass:
204.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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