1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C18H23NOS2 — CID 70697605

IUPAC1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1ccc(CN2CCC3(CC2)OCCc2sccc23)s1
InChIInChI=1S/C18H23NOS2/c1-2-14-3-4-15(22-14)13-19-9-7-18(8-10-19)16-6-12-21-17(16)5-11-20-18/h3-4,6,12H,2,5,7-11,13H2,1H3
InChIKeyUSMFHPOYQFHGLC-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.44
Rot. Bonds3

About 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 70697605) has the molecular formula C18H23NOS2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID70697605
Molecular FormulaC18H23NOS2
Molecular Weight333.52 g/mol
Exact Mass333.12
IUPAC Name1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1ccc(CN2CCC3(CC2)OCCc2sccc23)s1
InChIInChI=1S/C18H23NOS2/c1-2-14-3-4-15(22-14)13-19-9-7-18(8-10-19)16-6-12-21-17(16)5-11-20-18/h3-4,6,12H,2,5,7-11,13H2,1H3
InChIKeyUSMFHPOYQFHGLC-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(5-ethylthiophen-2-yl)methyl]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 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 70697605) is 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CCc1ccc(CN2CCC3(CC2)OCCc2sccc23)s1.
What is the InChIKey of 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is USMFHPOYQFHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS2/c1-2-14-3-4-15(22-14)13-19-9-7-18(8-10-19)16-6-12-21-17(16)5-11-20-18/h3-4,6,12H,2,5,7-11,13H2,1H3.
What are the key properties of 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 333.52 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-ethylthiophen-2-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 70697605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).