2-quinolin-2-ylsulfanylacetamide

C11H10N2OS — CID 2056006

IUPAC2-quinolin-2-ylsulfanylacetamide
SMILESNC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C11H10N2OS/c12-10(14)7-15-11-6-5-8-3-1-2-4-9(8)13-11/h1-6H,7H2,(H2,12,14)
InChIKeyORSZYGHOGLDTOF-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.81
Rot. Bonds3

About 2-quinolin-2-ylsulfanylacetamide

2-quinolin-2-ylsulfanylacetamide (PubChem CID 2056006) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanylacetamide
PubChem CID2056006
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-quinolin-2-ylsulfanylacetamide
SMILESNC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C11H10N2OS/c12-10(14)7-15-11-6-5-8-3-1-2-4-9(8)13-11/h1-6H,7H2,(H2,12,14)
InChIKeyORSZYGHOGLDTOF-UHFFFAOYSA-N
XLogP1.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-quinolin-2-ylsulfanylacetate
CID 27240915
3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
CID 41165036
3-quinolin-2-ylsulfanylpropanoic acid
CID 661670
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 35990470
methyl (2S)-2-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]acetate
CID 7306493
CID 20843421
CID 20843421
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755233
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-quinolin-2-ylsulfanylethanone
CID 7755411
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-2-ylsulfanylethanone
CID 2099144

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of 2-quinolin-2-ylsulfanylacetamide (CID 2056006) is 2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for 2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for 2-quinolin-2-ylsulfanylacetamide is NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of 2-quinolin-2-ylsulfanylacetamide?
The InChIKey is ORSZYGHOGLDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-10(14)7-15-11-6-5-8-3-1-2-4-9(8)13-11/h1-6H,7H2,(H2,12,14).
What are the key properties of 2-quinolin-2-ylsulfanylacetamide?
2-quinolin-2-ylsulfanylacetamide has a molecular weight of 218.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 2056006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).