N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

C11H14N2O3S — CID 16820558

IUPACN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCN1C(=O)CCc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C11H14N2O3S/c1-13-10-5-4-9(12-17(2,15)16)7-8(10)3-6-11(13)14/h4-5,7,12H,3,6H2,1-2H3
InChIKeyRLWCZXBLKIKJJU-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.97
Rot. Bonds2

About N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (PubChem CID 16820558) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
PubChem CID16820558
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCN1C(=O)CCc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C11H14N2O3S/c1-13-10-5-4-9(12-17(2,15)16)7-8(10)3-6-11(13)14/h4-5,7,12H,3,6H2,1-2H3
InChIKeyRLWCZXBLKIKJJU-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (CID 16820558) is N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is CN1C(=O)CCc2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The InChIKey is RLWCZXBLKIKJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-13-10-5-4-9(12-17(2,15)16)7-8(10)3-6-11(13)14/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 16820558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).