6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

C16H17NO2S — CID 86017730

IUPAC6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1csc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C16H17NO2S/c1-2-15(20-9-1)12-3-4-14-13(10-12)11-18-16(19-14)5-7-17-8-6-16/h1-4,9-10,17H,5-8,11H2
InChIKeyFCOAJHRZOBMECJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.40
Rot. Bonds1

About 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 86017730) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID86017730
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESc1csc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C16H17NO2S/c1-2-15(20-9-1)12-3-4-14-13(10-12)11-18-16(19-14)5-7-17-8-6-16/h1-4,9-10,17H,5-8,11H2
InChIKeyFCOAJHRZOBMECJ-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] 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 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 86017730) is 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is c1csc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1.
What is the InChIKey of 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is FCOAJHRZOBMECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-15(20-9-1)12-3-4-14-13(10-12)11-18-16(19-14)5-7-17-8-6-16/h1-4,9-10,17H,5-8,11H2.
What are the key properties of 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 287.38 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 86017730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).