2-thia-7-azabicyclo[3.3.1]nonane

C7H13NS — CID 122671848

IUPAC2-thia-7-azabicyclo[3.3.1]nonane
SMILESC1CC2CNCC(C2)S1
InChIInChI=1S/C7H13NS/c1-2-9-7-3-6(1)4-8-5-7/h6-8H,1-5H2
InChIKeyNGZPJBSVKPOADS-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.10
Rot. Bonds

About 2-thia-7-azabicyclo[3.3.1]nonane

2-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 122671848) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-thia-7-azabicyclo[3.3.1]nonane
PubChem CID122671848
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-thia-7-azabicyclo[3.3.1]nonane
SMILESC1CC2CNCC(C2)S1
InChIInChI=1S/C7H13NS/c1-2-9-7-3-6(1)4-8-5-7/h6-8H,1-5H2
InChIKeyNGZPJBSVKPOADS-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-thia-7-azabicyclo[3.3.1]nonane 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 2-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 2-thia-7-azabicyclo[3.3.1]nonane (CID 122671848) is 2-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2-thia-7-azabicyclo[3.3.1]nonane is C1CC2CNCC(C2)S1.
What is the InChIKey of 2-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is NGZPJBSVKPOADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-9-7-3-6(1)4-8-5-7/h6-8H,1-5H2.
What are the key properties of 2-thia-7-azabicyclo[3.3.1]nonane?
2-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 122671848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).