methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate

C11H16N2O2S — CID 80884659

IUPACmethyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate
SMILESCCNc1cccc(SCCC(=O)OC)n1
InChIInChI=1S/C11H16N2O2S/c1-3-12-9-5-4-6-10(13-9)16-8-7-11(14)15-2/h4-6H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyKGHOVSQFXINPDT-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.17
Rot. Bonds6

About methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate

methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate (PubChem CID 80884659) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate
PubChem CID80884659
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate
SMILESCCNc1cccc(SCCC(=O)OC)n1
InChIInChI=1S/C11H16N2O2S/c1-3-12-9-5-4-6-10(13-9)16-8-7-11(14)15-2/h4-6H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyKGHOVSQFXINPDT-UHFFFAOYSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[6-(methylamino)-2-pyridinyl]sulfanyl]propanoate
CID 80886345
6-(3-methoxy-3-oxopropyl)sulfanylpyridine-2-carboxylic acid
CID 60730616
6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine
CID 80894664
methyl 3-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]sulfanyl]propanoate
CID 171618510
methyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885986
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
methyl 3-(6-amino-2-tert-butylpyrimidin-4-yl)sulfanylpropanoate
CID 80963243
methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 40669544
methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80940205
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885994
N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine
CID 80885405

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate?
The IUPAC name of methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate (CID 80884659) is methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate.
What is the SMILES notation for methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate?
The canonical SMILES for methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate is CCNc1cccc(SCCC(=O)OC)n1.
What is the InChIKey of methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate?
The InChIKey is KGHOVSQFXINPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-12-9-5-4-6-10(13-9)16-8-7-11(14)15-2/h4-6H,3,7-8H2,1-2H3,(H,12,13).
What are the key properties of methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate?
methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate has a molecular weight of 240.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate is sourced from PubChem (CID 80884659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).