N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide

C13H16N2O3S2 — CID 51103389

IUPACN,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CCc2cccs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-14(2)20(17,18)12-5-6-13(16)15(10-12)8-7-11-4-3-9-19-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPBTOGEOZNMTKQR-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.40
Rot. Bonds5

About N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide

N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide (PubChem CID 51103389) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
PubChem CID51103389
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CCc2cccs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-14(2)20(17,18)12-5-6-13(16)15(10-12)8-7-11-4-3-9-19-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPBTOGEOZNMTKQR-UHFFFAOYSA-N
XLogP1.40
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 46821848
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
5-amino-1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]pyridin-2-one
CID 79476260
N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide
CID 9244801
N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 33294779
5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 91650638
1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 26963059
N,N-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30507275
N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
CID 94140377
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide
CID 9321678
1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24530870

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide (CID 51103389) is N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(CCc2cccs2)c1.
What is the InChIKey of N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The InChIKey is PBTOGEOZNMTKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-14(2)20(17,18)12-5-6-13(16)15(10-12)8-7-11-4-3-9-19-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 51103389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).