phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone

C14H17NOS — CID 15035836

IUPACphenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1ccccc1)N1CC2CSCC(C2)C1
InChIInChI=1S/C14H17NOS/c16-14(13-4-2-1-3-5-13)15-7-11-6-12(8-15)10-17-9-11/h1-5,11-12H,6-10H2
InChIKeyCKOGLDJWQPLWQS-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.51
Rot. Bonds1

About phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone

phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 15035836) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Namephenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID15035836
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Namephenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1ccccc1)N1CC2CSCC(C2)C1
InChIInChI=1S/C14H17NOS/c16-14(13-4-2-1-3-5-13)15-7-11-6-12(8-15)10-17-9-11/h1-5,11-12H,6-10H2
InChIKeyCKOGLDJWQPLWQS-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 15035836) is phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone is O=C(c1ccccc1)N1CC2CSCC(C2)C1.
What is the InChIKey of phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is CKOGLDJWQPLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-14(13-4-2-1-3-5-13)15-7-11-6-12(8-15)10-17-9-11/h1-5,11-12H,6-10H2.
What are the key properties of phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone?
phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 247.36 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 15035836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).