9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane

C7H12FNS — CID 105431708

IUPAC9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane
SMILESFC1C2CNCC1CSC2
InChIInChI=1S/C7H12FNS/c8-7-5-1-9-2-6(7)4-10-3-5/h5-7,9H,1-4H2
InChIKeyRVUYXANEZCXUOL-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.91
Rot. Bonds

About 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane

9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 105431708) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane
PubChem CID105431708
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Name9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane
SMILESFC1C2CNCC1CSC2
InChIInChI=1S/C7H12FNS/c8-7-5-1-9-2-6(7)4-10-3-5/h5-7,9H,1-4H2
InChIKeyRVUYXANEZCXUOL-UHFFFAOYSA-N
XLogP0.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3Lambda4-thia-7-azabicyclo(3.3.1)nonan-3-one hydrochloride
CID 145874597
3-Thia-7-azabicyclo[3.3.1]nonane
CID 15035835
3-(Fluoromethyl)-5-methylsulfanylpiperidine
CID 167133112
4-Fluoro-3-(methylsulfanylmethyl)piperidine
CID 105432253
9-Fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 105436283
9,9-Difluoro-3-thia-7-azabicyclo[3.3.1]nonane
CID 105438188
9-Fluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 105446952
9,9-Difluoro-3-thia-7-azabicyclo[3.3.1]nonane;hydrochloride
CID 105469293
3lambda4-Thia-7-azabicyclo[3.3.1]nonan-3-one
CID 145874598
7-Thia-3-azabicyclo[4.2.0]octane
CID 118210543
2-Thia-7-azabicyclo[3.3.1]nonane
CID 122671848
7-Thia-2-azabicyclo[3.3.1]nonane
CID 122672057

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane (CID 105431708) is 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane is FC1C2CNCC1CSC2.
What is the InChIKey of 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is RVUYXANEZCXUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c8-7-5-1-9-2-6(7)4-10-3-5/h5-7,9H,1-4H2.
What are the key properties of 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane?
9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 161.24 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 105431708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).