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2138058-76-9 | 2-{8-azabicyclo[3.2.1]octan-3-yl}-1lambda6,2-thiazinane-1,1-dione hydrochloride
CAS No: 2138058-76-9 Catalog No: AG01EHV4 MDL No:MFCD31559197
Product Description
Catalog Number:
AG01EHV4
Chemical Name:
2-{8-azabicyclo[3.2.1]octan-3-yl}-1lambda6,2-thiazinane-1,1-dione hydrochloride
CAS Number:
2138058-76-9
Molecular Formula:
C11H21ClN2O2S
Molecular Weight:
280.8146
MDL Number:
MFCD31559197
IUPAC Name:
2-(8-azabicyclo[3.2.1]octan-3-yl)thiazinane 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C11H20N2O2S.ClH/c14-16(15)6-2-1-5-13(16)11-7-9-3-4-10(8-11)12-9;/h9-12H,1-8H2;1H
InChI Key:
UAPBWKIQFXLOGL-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCCN1C1CC2CCC(C1)N2.Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.811g/mol
Monoisotopic Mass:
280.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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