3-(3-ethylsulfonylpropyl)-3-fluoroazetidine

C8H16FNO2S — CID 112563515

IUPAC3-(3-ethylsulfonylpropyl)-3-fluoroazetidine
SMILESCCS(=O)(=O)CCCC1(F)CNC1
InChIInChI=1S/C8H16FNO2S/c1-2-13(11,12)5-3-4-8(9)6-10-7-8/h10H,2-7H2,1H3
InChIKeyGDDOUFFSCXPJAB-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.51
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine

3-(3-ethylsulfonylpropyl)-3-fluoroazetidine (PubChem CID 112563515) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-3-fluoroazetidine
PubChem CID112563515
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-(3-ethylsulfonylpropyl)-3-fluoroazetidine
SMILESCCS(=O)(=O)CCCC1(F)CNC1
InChIInChI=1S/C8H16FNO2S/c1-2-13(11,12)5-3-4-8(9)6-10-7-8/h10H,2-7H2,1H3
InChIKeyGDDOUFFSCXPJAB-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306167
2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylpropan-1-amine
CID 105463173
2-(1,1-dioxothian-4-yl)-2-fluoro-N-methylpropan-1-amine
CID 105480915
3-(1,1-dioxothiolan-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine
CID 105480921
3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine
CID 105499498
3-Fluoro-3-(2-propylsulfonylethyl)azetidine
CID 106735904
3-(2-Tert-butylsulfonylethyl)-3-fluoroazetidine
CID 106735905
3-(2-Ethylsulfonylethyl)-3-fluoroazetidine
CID 106735906
3-Fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
CID 106735907
3-Fluoro-3-(2-methylsulfonylethyl)azetidine
CID 112563328
3-Fluoro-3-(3-methylsulfonylpropyl)azetidine
CID 112563382
5-Ethylsulfonyl-2-fluoro-2-methylpentan-1-amine
CID 112565180

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine (CID 112563515) is 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine is CCS(=O)(=O)CCCC1(F)CNC1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine?
The InChIKey is GDDOUFFSCXPJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-2-13(11,12)5-3-4-8(9)6-10-7-8/h10H,2-7H2,1H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine?
3-(3-ethylsulfonylpropyl)-3-fluoroazetidine has a molecular weight of 209.29 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)-3-fluoroazetidine is sourced from PubChem (CID 112563515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).