3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide

C11H18FNO2S — CID 54085630

IUPAC3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
SMILESCC1(C)C2CCC13CN(F)S(=O)(=O)C3(C)C2
InChIInChI=1S/C11H18FNO2S/c1-9(2)8-4-5-11(9)7-13(12)16(14,15)10(11,3)6-8/h8H,4-7H2,1-3H3
InChIKeyMQGFBSIISRLXFO-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.10
Rot. Bonds

About 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide

3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide (PubChem CID 54085630) has the molecular formula C11H18FNO2S and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide.

Molecular Properties

Compound Name3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
PubChem CID54085630
Molecular FormulaC11H18FNO2S
Molecular Weight247.33 g/mol
Exact Mass247.10
IUPAC Name3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
SMILESCC1(C)C2CCC13CN(F)S(=O)(=O)C3(C)C2
InChIInChI=1S/C11H18FNO2S/c1-9(2)8-4-5-11(9)7-13(12)16(14,15)10(11,3)6-8/h8H,4-7H2,1-3H3
InChIKeyMQGFBSIISRLXFO-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-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 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
The IUPAC name of 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide (CID 54085630) is 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide.
What is the SMILES notation for 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
The canonical SMILES for 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide is CC1(C)C2CCC13CN(F)S(=O)(=O)C3(C)C2.
What is the InChIKey of 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
The InChIKey is MQGFBSIISRLXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2S/c1-9(2)8-4-5-11(9)7-13(12)16(14,15)10(11,3)6-8/h8H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide?
3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide has a molecular weight of 247.33 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide is sourced from PubChem (CID 54085630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).