2-(4-ethylsulfonyl-1-fluorobutyl)piperidine

C11H22FNO2S — CID 106634950

IUPAC2-(4-ethylsulfonyl-1-fluorobutyl)piperidine
SMILESCCS(=O)(=O)CCCC(F)C1CCCCN1
InChIInChI=1S/C11H22FNO2S/c1-2-16(14,15)9-5-6-10(12)11-7-3-4-8-13-11/h10-11,13H,2-9H2,1H3
InChIKeyWKVUSHDJTJBGSW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.68
Rot. Bonds6

About 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine

2-(4-ethylsulfonyl-1-fluorobutyl)piperidine (PubChem CID 106634950) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine.

Molecular Properties

Compound Name2-(4-ethylsulfonyl-1-fluorobutyl)piperidine
PubChem CID106634950
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name2-(4-ethylsulfonyl-1-fluorobutyl)piperidine
SMILESCCS(=O)(=O)CCCC(F)C1CCCCN1
InChIInChI=1S/C11H22FNO2S/c1-2-16(14,15)9-5-6-10(12)11-7-3-4-8-13-11/h10-11,13H,2-9H2,1H3
InChIKeyWKVUSHDJTJBGSW-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4-(Propane-1-sulfonyl)piperidine
CID 54059246
4-(Propane-2-sulfonyl)piperidine
CID 57231271
(+/-)-trans-3-Fluoro-4-methanesulfonylpiperidine
CID 90183736
(3S,4S)-3-fluoro-4-methylsulfonylpiperidine
CID 118661716
3-Fluoro-4-methylsulfonylpiperidine
CID 123233741
2-fluoro-N-methyl-5-methylsulfonylcyclohexan-1-amine
CID 123895490
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
The IUPAC name of 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine (CID 106634950) is 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine.
What is the SMILES notation for 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
The canonical SMILES for 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine is CCS(=O)(=O)CCCC(F)C1CCCCN1.
What is the InChIKey of 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
The InChIKey is WKVUSHDJTJBGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-2-16(14,15)9-5-6-10(12)11-7-3-4-8-13-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine?
2-(4-ethylsulfonyl-1-fluorobutyl)piperidine has a molecular weight of 251.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonyl-1-fluorobutyl)piperidine is sourced from PubChem (CID 106634950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).