(4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

C19H21NO2S — CID 134817050

IUPAC(4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C19H21NO2S/c1-14-2-4-16(5-3-14)18(21)20-10-8-19(9-11-20)17-15(6-12-22-19)7-13-23-17/h2-5,7,13H,6,8-12H2,1H3
InChIKeyLTARCPDVNCNUFK-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.76
Rot. Bonds1

About (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

(4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (PubChem CID 134817050) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
PubChem CID134817050
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C19H21NO2S/c1-14-2-4-16(5-3-14)18(21)20-10-8-19(9-11-20)17-15(6-12-22-19)7-13-23-17/h2-5,7,13H,6,8-12H2,1H3
InChIKeyLTARCPDVNCNUFK-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (CID 134817050) is (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is Cc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is LTARCPDVNCNUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-14-2-4-16(5-3-14)18(21)20-10-8-19(9-11-20)17-15(6-12-22-19)7-13-23-17/h2-5,7,13H,6,8-12H2,1H3.
What are the key properties of (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
(4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 327.45 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 134817050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).