N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

C13H16N2O3S — CID 3159257

IUPACN-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C13H16N2O3S/c1-3-15(19(2,17)18)9-11-8-10-6-4-5-7-12(10)14-13(11)16/h4-8H,3,9H2,1-2H3,(H,14,16)
InChIKeyVWAXENHJDCTCEP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.31
Rot. Bonds4

About N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (PubChem CID 3159257) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
PubChem CID3159257
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C13H16N2O3S/c1-3-15(19(2,17)18)9-11-8-10-6-4-5-7-12(10)14-13(11)16/h4-8H,3,9H2,1-2H3,(H,14,16)
InChIKeyVWAXENHJDCTCEP-UHFFFAOYSA-N
XLogP1.31
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 4903915
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
CID 666351
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 23607643
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide
CID 2992520
N-ethyl-2-fluoro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 958945
N-ethyl-4-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 943147
2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394928
N-ethyl-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 945135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (CID 3159257) is N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is CCN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The InChIKey is VWAXENHJDCTCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-15(19(2,17)18)9-11-8-10-6-4-5-7-12(10)14-13(11)16/h4-8H,3,9H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 3159257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).