2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide

C11H16N2O2S — CID 82151265

IUPAC2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide
SMILESCC(C)COc1cccn(CC(N)=S)c1=O
InChIInChI=1S/C11H16N2O2S/c1-8(2)7-15-9-4-3-5-13(11(9)14)6-10(12)16/h3-5,8H,6-7H2,1-2H3,(H2,12,16)
InChIKeyXFYMSABVXZMLJR-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.17
Rot. Bonds5

About 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide

2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide (PubChem CID 82151265) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide
PubChem CID82151265
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide
SMILESCC(C)COc1cccn(CC(N)=S)c1=O
InChIInChI=1S/C11H16N2O2S/c1-8(2)7-15-9-4-3-5-13(11(9)14)6-10(12)16/h3-5,8H,6-7H2,1-2H3,(H2,12,16)
InChIKeyXFYMSABVXZMLJR-UHFFFAOYSA-N
XLogP1.17
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
CID 82151240
2-[2-oxo-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1-pyridinyl]ethanethioamide
CID 82151244
4-[[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 82056220
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
CID 82151747
2-[2-oxo-3-(3-oxo-3-piperidin-1-ylpropoxy)-1-pyridinyl]ethanethioamide
CID 82151242
2-methyl-3-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanethioamide
CID 82151752
2-(2-oxo-1-pyridinyl)ethanethioamide
CID 4913354
3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
CID 94758661
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide
CID 94757858
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide?
The IUPAC name of 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide (CID 82151265) is 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide.
What is the SMILES notation for 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide?
The canonical SMILES for 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide is CC(C)COc1cccn(CC(N)=S)c1=O.
What is the InChIKey of 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide?
The InChIKey is XFYMSABVXZMLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(2)7-15-9-4-3-5-13(11(9)14)6-10(12)16/h3-5,8H,6-7H2,1-2H3,(H2,12,16).
What are the key properties of 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide?
2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide has a molecular weight of 240.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide is sourced from PubChem (CID 82151265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).