1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C19H23NO2S — CID 70676938

IUPAC1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOC1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H23NO2S/c1-21-17-13-16-7-12-23-18(16)19(22-17)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,17H,8-11,13-14H2,1H3
InChIKeyQQTHDTCMPMXZHM-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.78
Rot. Bonds3

About 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 70676938) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID70676938
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOC1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H23NO2S/c1-21-17-13-16-7-12-23-18(16)19(22-17)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,17H,8-11,13-14H2,1H3
InChIKeyQQTHDTCMPMXZHM-UHFFFAOYSA-N
XLogP3.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 70676938) is 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is COC1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is QQTHDTCMPMXZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-21-17-13-16-7-12-23-18(16)19(22-17)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,17H,8-11,13-14H2,1H3.
What are the key properties of 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 329.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 70676938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).