5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine

C15H17NO2S — CID 155517408

IUPAC5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine
SMILESc1cc2cc(C3COC4(CCCCC4)O3)ncc2s1
InChIInChI=1S/C15H17NO2S/c1-2-5-15(6-3-1)17-10-13(18-15)12-8-11-4-7-19-14(11)9-16-12/h4,7-9,13H,1-3,5-6,10H2
InChIKeyPIUKXEZOPHRQKS-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.04
Rot. Bonds1

About 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine

5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine (PubChem CID 155517408) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine
PubChem CID155517408
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine
SMILESc1cc2cc(C3COC4(CCCCC4)O3)ncc2s1
InChIInChI=1S/C15H17NO2S/c1-2-5-15(6-3-1)17-10-13(18-15)12-8-11-4-7-19-14(11)9-16-12/h4,7-9,13H,1-3,5-6,10H2
InChIKeyPIUKXEZOPHRQKS-UHFFFAOYSA-N
XLogP4.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine (CID 155517408) is 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine is c1cc2cc(C3COC4(CCCCC4)O3)ncc2s1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine?
The InChIKey is PIUKXEZOPHRQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-5-15(6-3-1)17-10-13(18-15)12-8-11-4-7-19-14(11)9-16-12/h4,7-9,13H,1-3,5-6,10H2.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine?
5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine has a molecular weight of 275.37 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-3-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 155517408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).