2-azabicyclo[3.3.1]nonane-3-thione

C8H13NS — CID 3945419

IUPAC2-azabicyclo[3.3.1]nonane-3-thione
SMILESS=C1CC2CCCC(C2)N1
InChIInChI=1S/C8H13NS/c10-8-5-6-2-1-3-7(4-6)9-8/h6-7H,1-5H2,(H,9,10)
InChIKeyKJVDEUOWARXFCA-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.87
Rot. Bonds

About 2-azabicyclo[3.3.1]nonane-3-thione

2-azabicyclo[3.3.1]nonane-3-thione (PubChem CID 3945419) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-azabicyclo[3.3.1]nonane-3-thione.

Molecular Properties

Compound Name2-azabicyclo[3.3.1]nonane-3-thione
PubChem CID3945419
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-azabicyclo[3.3.1]nonane-3-thione
SMILESS=C1CC2CCCC(C2)N1
InChIInChI=1S/C8H13NS/c10-8-5-6-2-1-3-7(4-6)9-8/h6-7H,1-5H2,(H,9,10)
InChIKeyKJVDEUOWARXFCA-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-azabicyclo[3.3.1]nonane-3-thione 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

(1R,5S)-2,4-diazabicyclo[3.3.1]nonane-3-thione
CID 155166805
3-ethyl-2-azabicyclo[3.3.1]nonane
CID 146474793
bicyclo[4.3.1]decane
CID 12592588
(1S,6R)-bicyclo[4.3.1]decane
CID 58154231
2-azabicyclo[2.2.1]heptane-3-thione
CID 71376025
3-methylidene-9-azabicyclo[3.3.1]nonane
CID 139026286
2-azabicyclo[5.1.1]nonane
CID 118209878
1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-2-thione
CID 3034715
6-amino-2-methyl-1,3-diazinane-4-thione
CID 72728890
6-azabicyclo[3.1.1]heptane;methanol
CID 169176721
bicyclo[5.3.1]undecane
CID 14399147
2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane
CID 54344742

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.3.1]nonane-3-thione?
The IUPAC name of 2-azabicyclo[3.3.1]nonane-3-thione (CID 3945419) is 2-azabicyclo[3.3.1]nonane-3-thione.
What is the SMILES notation for 2-azabicyclo[3.3.1]nonane-3-thione?
The canonical SMILES for 2-azabicyclo[3.3.1]nonane-3-thione is S=C1CC2CCCC(C2)N1.
What is the InChIKey of 2-azabicyclo[3.3.1]nonane-3-thione?
The InChIKey is KJVDEUOWARXFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c10-8-5-6-2-1-3-7(4-6)9-8/h6-7H,1-5H2,(H,9,10).
What are the key properties of 2-azabicyclo[3.3.1]nonane-3-thione?
2-azabicyclo[3.3.1]nonane-3-thione has a molecular weight of 155.27 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.3.1]nonane-3-thione is sourced from PubChem (CID 3945419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).