2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide

C10H14N2OS — CID 19005858

IUPAC2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCCSCC(=O)NCc1ccccn1
InChIInChI=1S/C10H14N2OS/c1-2-14-8-10(13)12-7-9-5-3-4-6-11-9/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyGEOXGEVIXATHHK-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.45
Rot. Bonds5

About 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 19005858) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID19005858
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCCSCC(=O)NCc1ccccn1
InChIInChI=1S/C10H14N2OS/c1-2-14-8-10(13)12-7-9-5-3-4-6-11-9/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyGEOXGEVIXATHHK-UHFFFAOYSA-N
XLogP1.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95316732
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 19005858) is 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide is CCSCC(=O)NCc1ccccn1.
What is the InChIKey of 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GEOXGEVIXATHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-14-8-10(13)12-7-9-5-3-4-6-11-9/h3-6H,2,7-8H2,1H3,(H,12,13).
What are the key properties of 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 210.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 19005858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).