9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

C17H17NO2S — CID 1228682

IUPAC9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1cccs1)C1=C(CCCC1=O)N2
InChIInChI=1S/C17H17NO2S/c19-12-6-1-4-10-15(12)17(14-8-3-9-21-14)16-11(18-10)5-2-7-13(16)20/h3,8-9,17-18H,1-2,4-7H2
InChIKeyJYXAQNVLMYCQQI-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.45
Rot. Bonds1

About 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 1228682) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID1228682
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1cccs1)C1=C(CCCC1=O)N2
InChIInChI=1S/C17H17NO2S/c19-12-6-1-4-10-15(12)17(14-8-3-9-21-14)16-11(18-10)5-2-7-13(16)20/h3,8-9,17-18H,1-2,4-7H2
InChIKeyJYXAQNVLMYCQQI-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 1228682) is 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is O=C1CCCC2=C1C(c1cccs1)C1=C(CCCC1=O)N2.
What is the InChIKey of 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is JYXAQNVLMYCQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-12-6-1-4-10-15(12)17(14-8-3-9-21-14)16-11(18-10)5-2-7-13(16)20/h3,8-9,17-18H,1-2,4-7H2.
What are the key properties of 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 299.39 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiophen-2-yl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 1228682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).