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1803561-50-3 | N-[1-(1-methyl-1H-pyrazol-5-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CAS No: 1803561-50-3 Catalog No: AG01AGCM MDL No:MFCD28064188
Product Description
Catalog Number:
AG01AGCM
Chemical Name:
N-[1-(1-methyl-1H-pyrazol-5-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CAS Number:
1803561-50-3
Molecular Formula:
C10H16N4O3S
Molecular Weight:
272.3240
MDL Number:
MFCD28064188
IUPAC Name:
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
InChI:
InChI=1S/C10H16N4O3S/c1-13-9(5-6-11-13)14-7-3-4-8(10(14)15)12-18(2,16)17/h5-6,8,12H,3-4,7H2,1-2H3
InChI Key:
WHUSZAVNCDCYSE-UHFFFAOYSA-N
SMILES:
O=C1C(CCCN1c1ccnn1C)NS(=O)(=O)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.323g/mol
Monoisotopic Mass:
272.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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