2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride

C10H16ClNOS — CID 170959450

IUPAC2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
SMILESCCOCc1cc2c(s1)CNCC2.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-2-12-7-9-5-8-3-4-11-6-10(8)13-9;/h5,11H,2-4,6-7H2,1H3;1H
InChIKeyKBPDAGYQWAVECU-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.35
Rot. Bonds3

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

2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride (PubChem CID 170959450) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
PubChem CID170959450
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
SMILESCCOCc1cc2c(s1)CNCC2.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-2-12-7-9-5-8-3-4-11-6-10(8)13-9;/h5,11H,2-4,6-7H2,1H3;1H
InChIKeyKBPDAGYQWAVECU-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride (CID 170959450) is 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride is CCOCc1cc2c(s1)CNCC2.Cl.
What is the InChIKey of 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The InChIKey is KBPDAGYQWAVECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.ClH/c1-2-12-7-9-5-8-3-4-11-6-10(8)13-9;/h5,11H,2-4,6-7H2,1H3;1H.
What are the key properties of 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 170959450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).