9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one

C16H23NOS — CID 80527761

IUPAC9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(C)(CN1C2CCCC1CC(=O)C2)c1cccs1
InChIInChI=1S/C16H23NOS/c1-16(2,15-7-4-8-19-15)11-17-12-5-3-6-13(17)10-14(18)9-12/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3
InChIKeyZJTQATRRDZXGHD-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.61
Rot. Bonds3

About 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 80527761) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID80527761
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(C)(CN1C2CCCC1CC(=O)C2)c1cccs1
InChIInChI=1S/C16H23NOS/c1-16(2,15-7-4-8-19-15)11-17-12-5-3-6-13(17)10-14(18)9-12/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3
InChIKeyZJTQATRRDZXGHD-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
CID 106277896
1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole
CID 80527625
N,2,2-trimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
CID 114167443
1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 80527692
methyl 1-(2-methyl-2-thiophen-2-ylpropyl)azetidine-2-carboxylate
CID 112581607
9-(2-methyl-2-thiophen-2-ylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80523971
9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712336
N-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80526744
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-6,7-dihydro-5H-indol-4-one
CID 80527738
1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
CID 80526281
5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
CID 80527617

Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 80527761) is 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one is CC(C)(CN1C2CCCC1CC(=O)C2)c1cccs1.
What is the InChIKey of 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is ZJTQATRRDZXGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-16(2,15-7-4-8-19-15)11-17-12-5-3-6-13(17)10-14(18)9-12/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3.
What are the key properties of 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 277.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-2-thiophen-2-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 80527761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).