6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C12H17NO2S — CID 25129868

IUPAC6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCNCC2)O1
InChIInChI=1S/C12H17NO2S/c1-14-11-8-10-9(2-7-16-10)12(15-11)3-5-13-6-4-12/h2,7,11,13H,3-6,8H2,1H3
InChIKeyLRATXVSWKPLTBB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.87
Rot. Bonds1

About 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25129868) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25129868
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCNCC2)O1
InChIInChI=1S/C12H17NO2S/c1-14-11-8-10-9(2-7-16-10)12(15-11)3-5-13-6-4-12/h2,7,11,13H,3-6,8H2,1H3
InChIKeyLRATXVSWKPLTBB-UHFFFAOYSA-N
XLogP1.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25129868) is 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sccc2C2(CCNCC2)O1.
What is the InChIKey of 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is LRATXVSWKPLTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-14-11-8-10-9(2-7-16-10)12(15-11)3-5-13-6-4-12/h2,7,11,13H,3-6,8H2,1H3.
What are the key properties of 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 239.34 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25129868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).