2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

C14H16N2OS — CID 860358

IUPAC2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2nc(SCC(N)=O)cc(C)c2c1
InChIInChI=1S/C14H16N2OS/c1-8-4-10(3)14-11(5-8)9(2)6-13(16-14)18-7-12(15)17/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyCOANXYUPBFLLTF-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.74
Rot. Bonds3

About 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 860358) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID860358
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2nc(SCC(N)=O)cc(C)c2c1
InChIInChI=1S/C14H16N2OS/c1-8-4-10(3)14-11(5-8)9(2)6-13(16-14)18-7-12(15)17/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyCOANXYUPBFLLTF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 860360
N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 2582039
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 4852619
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518
2-(6-bromo-4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 97179354
methyl 2-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302735
2-benzylsulfanyl-4,6,8-trimethylquinoline
CID 46302755
N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 4876152
1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 2418061
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4,6,8-trimethylquinoline
CID 39774426
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722

Frequently Asked Questions

What is the IUPAC name of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 860358) is 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc(C)c2nc(SCC(N)=O)cc(C)c2c1.
What is the InChIKey of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is COANXYUPBFLLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-4-10(3)14-11(5-8)9(2)6-13(16-14)18-7-12(15)17/h4-6H,7H2,1-3H3,(H2,15,17).
What are the key properties of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 260.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 860358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).