4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C9H13NOS — CID 102551186

IUPAC4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCOCC1NCCc2sccc21
InChIInChI=1S/C9H13NOS/c1-11-6-8-7-3-5-12-9(7)2-4-10-8/h3,5,8,10H,2,4,6H2,1H3
InChIKeyQOXYZNWPOZYOIZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.58
Rot. Bonds2

About 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 102551186) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID102551186
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCOCC1NCCc2sccc21
InChIInChI=1S/C9H13NOS/c1-11-6-8-7-3-5-12-9(7)2-4-10-8/h3,5,8,10H,2,4,6H2,1H3
InChIKeyQOXYZNWPOZYOIZ-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 102551186) is 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is COCC1NCCc2sccc21.
What is the InChIKey of 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is QOXYZNWPOZYOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-11-6-8-7-3-5-12-9(7)2-4-10-8/h3,5,8,10H,2,4,6H2,1H3.
What are the key properties of 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 183.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 102551186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).