[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate

C12H14N2O3S — CID 2365800

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C12H14N2O3S/c1-18-11-9(3-2-6-13-11)12(16)17-7-10(15)14-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyAGEUAEGWXUNHSN-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.24
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (PubChem CID 2365800) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
PubChem CID2365800
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C12H14N2O3S/c1-18-11-9(3-2-6-13-11)12(16)17-7-10(15)14-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyAGEUAEGWXUNHSN-UHFFFAOYSA-N
XLogP1.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2099420
2-((2-Methoxyethyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
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(3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate
CID 2381986
2-(Cyclohexyl(ethyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
CID 2384821
{[(Thiophen-2-yl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2417558
2-Oxo-2-[(propan-2-yl)amino]ethyl 2-(methylsulfanyl)pyridine-3-carboxylate
CID 2454114
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2535430
L-Methionine, N-[[2-(methylthio)-3-pyridinyl]carbonyl]-, methyl ester
CID 2778550
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 4246418
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 4782020
Ethyl 4-methyl-6-(((2-(methylthio)nicotinoyl)oxy)methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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CID 649732

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (CID 2365800) is [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is CSc1ncccc1C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The InChIKey is AGEUAEGWXUNHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18-11-9(3-2-6-13-11)12(16)17-7-10(15)14-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 2365800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).