1-ethylsulfonyl-3-fluoropiperidine

C7H14FNO2S — CID 169117327

IUPAC1-ethylsulfonyl-3-fluoropiperidine
SMILESCCS(=O)(=O)N1CCCC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-2-12(10,11)9-5-3-4-7(8)6-9/h7H,2-6H2,1H3
InChIKeyQXWYQJAWIWFILM-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds2

About 1-ethylsulfonyl-3-fluoropiperidine

1-ethylsulfonyl-3-fluoropiperidine (PubChem CID 169117327) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-fluoropiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-fluoropiperidine
PubChem CID169117327
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name1-ethylsulfonyl-3-fluoropiperidine
SMILESCCS(=O)(=O)N1CCCC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-2-12(10,11)9-5-3-4-7(8)6-9/h7H,2-6H2,1H3
InChIKeyQXWYQJAWIWFILM-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
2-(Piperidine-1-sulfonyl)acetonitrile
CID 39733771
N-methyltetrahydro-1,2-thiazine S,S-dioxide
CID 12211945
4-Fluoro-4-methyl-1-methylsulfonylpiperidine
CID 165041438
1-Methanesulfonylpiperidine
CID 273952
1-Pentylsulfonylpiperidine
CID 303124
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1-(2-Fluoroethyl)piperidine-3-sulfonamide hydrochloride
CID 132300888
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-fluoropiperidine?
The IUPAC name of 1-ethylsulfonyl-3-fluoropiperidine (CID 169117327) is 1-ethylsulfonyl-3-fluoropiperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-fluoropiperidine?
The canonical SMILES for 1-ethylsulfonyl-3-fluoropiperidine is CCS(=O)(=O)N1CCCC(F)C1.
What is the InChIKey of 1-ethylsulfonyl-3-fluoropiperidine?
The InChIKey is QXWYQJAWIWFILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-2-12(10,11)9-5-3-4-7(8)6-9/h7H,2-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-fluoropiperidine?
1-ethylsulfonyl-3-fluoropiperidine has a molecular weight of 195.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-fluoropiperidine is sourced from PubChem (CID 169117327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).