2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

C14H16N2OS — CID 4821234

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(N)=O)nc2c(C)cccc12
InChIInChI=1S/C14H16N2OS/c1-8-5-4-6-11-9(2)7-12(16-13(8)11)18-10(3)14(15)17/h4-7,10H,1-3H3,(H2,15,17)
InChIKeyPHFYLNYKEUJEIV-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.82
Rot. Bonds3

About 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 4821234) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID4821234
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(N)=O)nc2c(C)cccc12
InChIInChI=1S/C14H16N2OS/c1-8-5-4-6-11-9(2)7-12(16-13(8)11)18-10(3)14(15)17/h4-7,10H,1-3H3,(H2,15,17)
InChIKeyPHFYLNYKEUJEIV-UHFFFAOYSA-N
XLogP2.82
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
CID 7363763
(2S)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
CID 7363762
5-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]-1,3-dihydrobenzimidazol-2-one
CID 46301925
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17432104
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (CID 4821234) is 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is Cc1cc(SC(C)C(N)=O)nc2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is PHFYLNYKEUJEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-5-4-6-11-9(2)7-12(16-13(8)11)18-10(3)14(15)17/h4-7,10H,1-3H3,(H2,15,17).
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 260.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 4821234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).