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Home > Pyridines > 1955560-55-0
1955560-55-0 | 2-methyl-N-[3-(pyridin-3-yl)oxetan-3-yl]propane-2-sulfinamide
CAS No: 1955560-55-0 Catalog No: AG01ACUM MDL No:MFCD28505646
Product Description
Catalog Number:
AG01ACUM
Chemical Name:
2-methyl-N-[3-(pyridin-3-yl)oxetan-3-yl]propane-2-sulfinamide
CAS Number:
1955560-55-0
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD28505646
IUPAC Name:
2-methyl-N-(3-pyridin-3-yloxetan-3-yl)propane-2-sulfinamide
InChI:
InChI=1S/C12H18N2O2S/c1-11(2,3)17(15)14-12(8-16-9-12)10-5-4-6-13-7-10/h4-7,14H,8-9H2,1-3H3
InChI Key:
DUQIPQACMVVLKI-UHFFFAOYSA-N
SMILES:
O=S(C(C)(C)C)NC1(COC1)c1cccnc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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