9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

C7H11F2NO2S — CID 105464840

IUPAC9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CNCC(C1)C2(F)F
InChIInChI=1S/C7H11F2NO2S/c8-7(9)5-1-10-2-6(7)4-13(11,12)3-5/h5-6,10H,1-4H2
InChIKeyNXHQSFINRGXDEI-UHFFFAOYSA-N
MW211.23 g/mol
LogP-0.11
Rot. Bonds

About 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (PubChem CID 105464840) has the molecular formula C7H11F2NO2S and a molecular weight of 211.23 g/mol. Its IUPAC name is 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.

Molecular Properties

Compound Name9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
PubChem CID105464840
Molecular FormulaC7H11F2NO2S
Molecular Weight211.23 g/mol
Exact Mass211.05
IUPAC Name9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CNCC(C1)C2(F)F
InChIInChI=1S/C7H11F2NO2S/c8-7(9)5-1-10-2-6(7)4-13(11,12)3-5/h5-6,10H,1-4H2
InChIKeyNXHQSFINRGXDEI-UHFFFAOYSA-N
XLogP-0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide 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 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The IUPAC name of 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (CID 105464840) is 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.
What is the SMILES notation for 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The canonical SMILES for 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is O=S1(=O)CC2CNCC(C1)C2(F)F.
What is the InChIKey of 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The InChIKey is NXHQSFINRGXDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2S/c8-7(9)5-1-10-2-6(7)4-13(11,12)3-5/h5-6,10H,1-4H2.
What are the key properties of 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide has a molecular weight of 211.23 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is sourced from PubChem (CID 105464840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).