3-(3-ethylsulfonylpropyl)-3-fluoropiperidine

C10H20FNO2S — CID 112562975

IUPAC3-(3-ethylsulfonylpropyl)-3-fluoropiperidine
SMILESCCS(=O)(=O)CCCC1(F)CCCNC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)8-4-6-10(11)5-3-7-12-9-10/h12H,2-9H2,1H3
InChIKeyLUKGRELWGRGMFG-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.29
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine

3-(3-ethylsulfonylpropyl)-3-fluoropiperidine (PubChem CID 112562975) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-3-fluoropiperidine
PubChem CID112562975
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-(3-ethylsulfonylpropyl)-3-fluoropiperidine
SMILESCCS(=O)(=O)CCCC1(F)CCCNC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)8-4-6-10(11)5-3-7-12-9-10/h12H,2-9H2,1H3
InChIKeyLUKGRELWGRGMFG-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
2Lambda6-thia-7-azaspiro(4.5)decane-2,2-dione hydrochloride
CID 121552800
2,2-Diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75478254
6lambda6-Thia-9-azaspiro[4.5]decane-6,6-dione hydrochloride
CID 165913416
2-Methanesulfonyl-7-azaspiro[3.5]nonane hydrochloride
CID 170915103
4-(Propane-1-sulfonyl)piperidine
CID 54059246
4-(Propane-2-sulfonyl)piperidine
CID 57231271
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
4-(4-fluoro-4-methylcyclohexyl)sulfonyl-N-methylbutan-1-amine
CID 144300293
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-(2,2,2-Trifluoroethylsulfonylmethyl)piperidine
CID 160563827

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine (CID 112562975) is 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine is CCS(=O)(=O)CCCC1(F)CCCNC1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine?
The InChIKey is LUKGRELWGRGMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-15(13,14)8-4-6-10(11)5-3-7-12-9-10/h12H,2-9H2,1H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-3-fluoropiperidine?
3-(3-ethylsulfonylpropyl)-3-fluoropiperidine has a molecular weight of 237.34 g/mol, XLogP of 1.29, 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-fluoropiperidine is sourced from PubChem (CID 112562975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).