6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C17H21NO2S2 — CID 25130222

IUPAC6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1
InChIInChI=1S/C17H21NO2S2/c1-19-16-11-15-14(4-10-22-15)17(20-16)5-7-18(8-6-17)12-13-3-2-9-21-13/h2-4,9-10,16H,5-8,11-12H2,1H3
InChIKeyORJHMTAOZUCXLX-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.85
Rot. Bonds3

About 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25130222) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25130222
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC Name6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1
InChIInChI=1S/C17H21NO2S2/c1-19-16-11-15-14(4-10-22-15)17(20-16)5-7-18(8-6-17)12-13-3-2-9-21-13/h2-4,9-10,16H,5-8,11-12H2,1H3
InChIKeyORJHMTAOZUCXLX-UHFFFAOYSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25130222) is 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1.
What is the InChIKey of 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is ORJHMTAOZUCXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-19-16-11-15-14(4-10-22-15)17(20-16)5-7-18(8-6-17)12-13-3-2-9-21-13/h2-4,9-10,16H,5-8,11-12H2,1H3.
What are the key properties of 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 335.49 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(thiophen-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25130222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).