4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine

C14H22N2O2S — CID 67026221

IUPAC4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine
SMILESc1c(OCCCN2CCOCC2)sc2c1CNCC2
InChIInChI=1S/C14H22N2O2S/c1(4-16-5-8-17-9-6-16)7-18-14-10-12-11-15-3-2-13(12)19-14/h10,15H,1-9,11H2
InChIKeyLARFBZDDVKJUCV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.49
Rot. Bonds5

About 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine

4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine (PubChem CID 67026221) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine
PubChem CID67026221
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine
SMILESc1c(OCCCN2CCOCC2)sc2c1CNCC2
InChIInChI=1S/C14H22N2O2S/c1(4-16-5-8-17-9-6-16)7-18-14-10-12-11-15-3-2-13(12)19-14/h10,15H,1-9,11H2
InChIKeyLARFBZDDVKJUCV-UHFFFAOYSA-N
XLogP1.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
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 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine?
The IUPAC name of 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine (CID 67026221) is 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine?
The canonical SMILES for 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine is c1c(OCCCN2CCOCC2)sc2c1CNCC2.
What is the InChIKey of 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine?
The InChIKey is LARFBZDDVKJUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1(4-16-5-8-17-9-6-16)7-18-14-10-12-11-15-3-2-13(12)19-14/h10,15H,1-9,11H2.
What are the key properties of 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine?
4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine has a molecular weight of 282.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)propyl]morpholine is sourced from PubChem (CID 67026221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).