N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide

C11H16N2O3S — CID 118741170

IUPACN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide
SMILESCn1c2c(ccc1=O)CC(NS(C)(=O)=O)CC2
InChIInChI=1S/C11H16N2O3S/c1-13-10-5-4-9(12-17(2,15)16)7-8(10)3-6-11(13)14/h3,6,9,12H,4-5,7H2,1-2H3
InChIKeyIGAPJWGQTYACHG-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.21
Rot. Bonds2

About N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide

N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide (PubChem CID 118741170) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide
PubChem CID118741170
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide
SMILESCn1c2c(ccc1=O)CC(NS(C)(=O)=O)CC2
InChIInChI=1S/C11H16N2O3S/c1-13-10-5-4-9(12-17(2,15)16)7-8(10)3-6-11(13)14/h3,6,9,12H,4-5,7H2,1-2H3
InChIKeyIGAPJWGQTYACHG-UHFFFAOYSA-N
XLogP-0.21
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide (CID 118741170) is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide is Cn1c2c(ccc1=O)CC(NS(C)(=O)=O)CC2.
What is the InChIKey of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide?
The InChIKey is IGAPJWGQTYACHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13-10-5-4-9(12-17(2,15)16)7-8(10)3-6-11(13)14/h3,6,9,12H,4-5,7H2,1-2H3.
What are the key properties of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide?
N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide has a molecular weight of 256.33 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 118741170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).