1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C26H29NO2S — CID 25164280

IUPAC1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C26H29NO2S/c1-28-25-18-24-23(17-22(30-24)16-20-8-4-2-5-9-20)26(29-25)12-14-27(15-13-26)19-21-10-6-3-7-11-21/h2-11,17,25H,12-16,18-19H2,1H3
InChIKeyGNCXDMQNSJBOLZ-UHFFFAOYSA-N
MW419.59 g/mol
LogP5.38
Rot. Bonds5

About 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25164280) has the molecular formula C26H29NO2S and a molecular weight of 419.59 g/mol. Its IUPAC name is 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25164280
Molecular FormulaC26H29NO2S
Molecular Weight419.59 g/mol
Exact Mass419.19
IUPAC Name1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C26H29NO2S/c1-28-25-18-24-23(17-22(30-24)16-20-8-4-2-5-9-20)26(29-25)12-14-27(15-13-26)19-21-10-6-3-7-11-21/h2-11,17,25H,12-16,18-19H2,1H3
InChIKeyGNCXDMQNSJBOLZ-UHFFFAOYSA-N
XLogP5.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1',2-dibenzyl-6-methoxyspiro[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 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25164280) is 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is GNCXDMQNSJBOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2S/c1-28-25-18-24-23(17-22(30-24)16-20-8-4-2-5-9-20)26(29-25)12-14-27(15-13-26)19-21-10-6-3-7-11-21/h2-11,17,25H,12-16,18-19H2,1H3.
What are the key properties of 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 419.59 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2-dibenzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25164280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).