1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone

C17H19NOS2 — CID 142863223

IUPAC1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2cccs2)cs1)C1CCN2CCC1CC2
InChIInChI=1S/C17H19NOS2/c19-17(14-5-8-18-6-3-12(14)4-7-18)16-10-13(11-21-16)15-2-1-9-20-15/h1-2,9-12,14H,3-8H2
InChIKeyHAIFXAFRUHJLHG-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.39
Rot. Bonds3

About 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone

1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone (PubChem CID 142863223) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
PubChem CID142863223
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2cccs2)cs1)C1CCN2CCC1CC2
InChIInChI=1S/C17H19NOS2/c19-17(14-5-8-18-6-3-12(14)4-7-18)16-10-13(11-21-16)15-2-1-9-20-15/h1-2,9-12,14H,3-8H2
InChIKeyHAIFXAFRUHJLHG-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The IUPAC name of 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone (CID 142863223) is 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The canonical SMILES for 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone is O=C(c1cc(-c2cccs2)cs1)C1CCN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The InChIKey is HAIFXAFRUHJLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c19-17(14-5-8-18-6-3-12(14)4-7-18)16-10-13(11-21-16)15-2-1-9-20-15/h1-2,9-12,14H,3-8H2.
What are the key properties of 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone has a molecular weight of 317.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 142863223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).