7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine

C15H20N2O2S — CID 133331902

IUPAC7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine
SMILESCOCCOCC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C15H20N2O2S/c1-18-7-8-19-11-12-3-6-17(10-12)14-2-5-16-13-4-9-20-15(13)14/h2,4-5,9,12H,3,6-8,10-11H2,1H3
InChIKeyXGERXIZLUVIGCH-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.79
Rot. Bonds6

About 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine

7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine (PubChem CID 133331902) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine
PubChem CID133331902
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine
SMILESCOCCOCC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C15H20N2O2S/c1-18-7-8-19-11-12-3-6-17(10-12)14-2-5-16-13-4-9-20-15(13)14/h2,4-5,9,12H,3,6-8,10-11H2,1H3
InChIKeyXGERXIZLUVIGCH-UHFFFAOYSA-N
XLogP2.79
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine (CID 133331902) is 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine is COCCOCC1CCN(c2ccnc3ccsc23)C1.
What is the InChIKey of 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The InChIKey is XGERXIZLUVIGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-7-8-19-11-12-3-6-17(10-12)14-2-5-16-13-4-9-20-15(13)14/h2,4-5,9,12H,3,6-8,10-11H2,1H3.
What are the key properties of 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine has a molecular weight of 292.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 133331902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).