3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide

C12H20FNO2S — CID 115048854

IUPAC3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(C2C(F)CC3CCC2N3)C1
InChIInChI=1S/C12H20FNO2S/c13-10-6-9-3-4-11(14-9)12(10)8-2-1-5-17(15,16)7-8/h8-12,14H,1-7H2
InChIKeyLBAUJDXLFUDPNN-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.29
Rot. Bonds1

About 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide

3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide (PubChem CID 115048854) has the molecular formula C12H20FNO2S and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide
PubChem CID115048854
Molecular FormulaC12H20FNO2S
Molecular Weight261.36 g/mol
Exact Mass261.12
IUPAC Name3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(C2C(F)CC3CCC2N3)C1
InChIInChI=1S/C12H20FNO2S/c13-10-6-9-3-4-11(14-9)12(10)8-2-1-5-17(15,16)7-8/h8-12,14H,1-7H2
InChIKeyLBAUJDXLFUDPNN-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide with MolForge

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Related Compounds

3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
4-(Fluoromethyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione
CID 71306082
4-(3-Fluoropiperidin-4-yl)thiane 1,1-dioxide
CID 105426913
3-Fluoro-3-(2-propylsulfonylethyl)-8-azabicyclo[3.2.1]octane
CID 106735919
3-(2-Tert-butylsulfonylethyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106735920
3-(2-Ethylsulfonylethyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106735921
2-(4-Tert-butylsulfonyl-2-fluoro-2-methylbutyl)piperidine
CID 106735976
2-(4-Ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine
CID 106735977
3-Fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane
CID 112564480
3-Fluoro-3-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octane
CID 112564525
3-Fluoro-3-(3-methylsulfonylcyclohexyl)-8-azabicyclo[3.2.1]octane
CID 112564566
3-(3-Ethylsulfonylpropyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564651

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide (CID 115048854) is 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide is O=S1(=O)CCCC(C2C(F)CC3CCC2N3)C1.
What is the InChIKey of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide?
The InChIKey is LBAUJDXLFUDPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2S/c13-10-6-9-3-4-11(14-9)12(10)8-2-1-5-17(15,16)7-8/h8-12,14H,1-7H2.
What are the key properties of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide?
3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide has a molecular weight of 261.36 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-8-azabicyclo[3.2.1]octan-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 115048854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).