ethyl 2-quinolin-2-ylsulfanylpropanoate

C14H15NO2S — CID 46302535

IUPACethyl 2-quinolin-2-ylsulfanylpropanoate
SMILESCCOC(=O)C(C)Sc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)10(2)18-13-9-8-11-6-4-5-7-12(11)15-13/h4-10H,3H2,1-2H3
InChIKeyOMZHGZZIWNLSGX-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.28
Rot. Bonds4

About ethyl 2-quinolin-2-ylsulfanylpropanoate

ethyl 2-quinolin-2-ylsulfanylpropanoate (PubChem CID 46302535) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 2-quinolin-2-ylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-quinolin-2-ylsulfanylpropanoate
PubChem CID46302535
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-quinolin-2-ylsulfanylpropanoate
SMILESCCOC(=O)C(C)Sc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)10(2)18-13-9-8-11-6-4-5-7-12(11)15-13/h4-10H,3H2,1-2H3
InChIKeyOMZHGZZIWNLSGX-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755097
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7755383
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272482
ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate
CID 97354746
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-quinolin-2-ylsulfanylpropanoate?
The IUPAC name of ethyl 2-quinolin-2-ylsulfanylpropanoate (CID 46302535) is ethyl 2-quinolin-2-ylsulfanylpropanoate.
What is the SMILES notation for ethyl 2-quinolin-2-ylsulfanylpropanoate?
The canonical SMILES for ethyl 2-quinolin-2-ylsulfanylpropanoate is CCOC(=O)C(C)Sc1ccc2ccccc2n1.
What is the InChIKey of ethyl 2-quinolin-2-ylsulfanylpropanoate?
The InChIKey is OMZHGZZIWNLSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-17-14(16)10(2)18-13-9-8-11-6-4-5-7-12(11)15-13/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-quinolin-2-ylsulfanylpropanoate?
ethyl 2-quinolin-2-ylsulfanylpropanoate has a molecular weight of 261.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-quinolin-2-ylsulfanylpropanoate is sourced from PubChem (CID 46302535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).