3-thia-7-azabicyclo[3.3.1]nonane

C7H13NS — CID 15035835

IUPAC3-thia-7-azabicyclo[3.3.1]nonane
SMILESC1NCC2CSCC1C2
InChIInChI=1S/C7H13NS/c1-6-2-8-3-7(1)5-9-4-6/h6-8H,1-5H2
InChIKeyDUYSRTMRDDRCQC-UHFFFAOYSA-N
MW143.25 g/mol
LogP0.96
Rot. Bonds

About 3-thia-7-azabicyclo[3.3.1]nonane

3-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 15035835) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-thia-7-azabicyclo[3.3.1]nonane
PubChem CID15035835
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-thia-7-azabicyclo[3.3.1]nonane
SMILESC1NCC2CSCC1C2
InChIInChI=1S/C7H13NS/c1-6-2-8-3-7(1)5-9-4-6/h6-8H,1-5H2
InChIKeyDUYSRTMRDDRCQC-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-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 3-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-thia-7-azabicyclo[3.3.1]nonane (CID 15035835) is 3-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-thia-7-azabicyclo[3.3.1]nonane is C1NCC2CSCC1C2.
What is the InChIKey of 3-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is DUYSRTMRDDRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-2-8-3-7(1)5-9-4-6/h6-8H,1-5H2.
What are the key properties of 3-thia-7-azabicyclo[3.3.1]nonane?
3-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 143.25 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 15035835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).