ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate

C10H14N2O2S — CID 80885994

IUPACethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1cccc(NC)n1
InChIInChI=1S/C10H14N2O2S/c1-3-14-10(13)7-15-9-6-4-5-8(11-2)12-9/h4-6H,3,7H2,1-2H3,(H,11,12)
InChIKeyCBCFRABZOLAASL-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.78
Rot. Bonds5

About ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate

ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate (PubChem CID 80885994) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
PubChem CID80885994
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
SMILESCCOC(=O)CSc1cccc(NC)n1
InChIInChI=1S/C10H14N2O2S/c1-3-14-10(13)7-15-9-6-4-5-8(11-2)12-9/h4-6H,3,7H2,1-2H3,(H,11,12)
InChIKeyCBCFRABZOLAASL-UHFFFAOYSA-N
XLogP1.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate (CID 80885994) is ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate is CCOC(=O)CSc1cccc(NC)n1.
What is the InChIKey of ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate?
The InChIKey is CBCFRABZOLAASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-14-10(13)7-15-9-6-4-5-8(11-2)12-9/h4-6H,3,7H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate?
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate has a molecular weight of 226.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate is sourced from PubChem (CID 80885994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).