N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide

C17H16N4OS — CID 17385990

IUPACN,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide
SMILESN#CCCN(CCC#N)C(=O)CSc1cccc2cccnc12
InChIInChI=1S/C17H16N4OS/c18-8-3-11-21(12-4-9-19)16(22)13-23-15-7-1-5-14-6-2-10-20-17(14)15/h1-2,5-7,10H,3-4,11-13H2
InChIKeyBATTXWOMFMFECY-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.98
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide

N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 17385990) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID17385990
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide
SMILESN#CCCN(CCC#N)C(=O)CSc1cccc2cccnc12
InChIInChI=1S/C17H16N4OS/c18-8-3-11-21(12-4-9-19)16(22)13-23-15-7-1-5-14-6-2-10-20-17(14)15/h1-2,5-7,10H,3-4,11-13H2
InChIKeyBATTXWOMFMFECY-UHFFFAOYSA-N
XLogP2.98
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-quinolin-8-ylsulfanylacetonitrile
CID 2143520
N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide
CID 51095132
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
N,N-bis(2-cyanoethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 47365109
N,N-bis(2-cyanoethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 134026459
N,N-bis(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 30422819
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
N,N-bis(2-cyanoethyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 46806811
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
1-(1-adamantyl)-2-quinolin-8-ylsulfanylethanone;hydrochloride
CID 18462542

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide (CID 17385990) is N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide is N#CCCN(CCC#N)C(=O)CSc1cccc2cccnc12.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is BATTXWOMFMFECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-8-3-11-21(12-4-9-19)16(22)13-23-15-7-1-5-14-6-2-10-20-17(14)15/h1-2,5-7,10H,3-4,11-13H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide?
N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 324.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 17385990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).