N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C13H19N3O3S — CID 106336780

IUPACN-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H19N3O3S/c1-14-20(18,19)9-8-16-13(17)11-4-2-6-12-10(11)5-3-7-15-12/h2,4,6,14-15H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyUFGSKZOFKDLOIM-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.32
Rot. Bonds5

About N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 106336780) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID106336780
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H19N3O3S/c1-14-20(18,19)9-8-16-13(17)11-4-2-6-12-10(11)5-3-7-15-12/h2,4,6,14-15H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyUFGSKZOFKDLOIM-UHFFFAOYSA-N
XLogP0.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954746
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685129

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 106336780) is N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CNS(=O)(=O)CCNC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is UFGSKZOFKDLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-14-20(18,19)9-8-16-13(17)11-4-2-6-12-10(11)5-3-7-15-12/h2,4,6,14-15H,3,5,7-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 106336780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).