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

C10H20FNO2S — CID 106640372

IUPAC2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine
SMILESCCS(=O)(=O)CCCC(F)C1CCCN1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)8-4-5-9(11)10-6-3-7-12-10/h9-10,12H,2-8H2,1H3
InChIKeyMZXISOGWZQTUAS-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.29
Rot. Bonds6

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

2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine (PubChem CID 106640372) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine
PubChem CID106640372
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine
SMILESCCS(=O)(=O)CCCC(F)C1CCCN1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)8-4-5-9(11)10-6-3-7-12-10/h9-10,12H,2-8H2,1H3
InChIKeyMZXISOGWZQTUAS-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
(2R)-2-(methanesulfonylmethyl)pyrrolidine
CID 23401765
(2S)-2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propyl]pyrrolidine
CID 117927712
(2S)-2-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]pyrrolidine
CID 117927753
(S)-2-(3-((3,3,3-Trifluoropropyl)sulfonyl)propyl)pyrrolidine
CID 117927771
(R)-2-(2-((4,4,4-Trifluorobutyl)sulfonyl)ethyl)pyrrolidine
CID 117927797
(2R)-2-[3-(3,3,4,4,4-pentafluorobutylsulfonyl)propyl]pyrrolidine
CID 117927816
(R)-2-(2-((3,3,3-Trifluoropropyl)sulfonyl)ethyl)pyrrolidine
CID 117927821
(2S)-2-[3-(3,3,4,4,4-pentafluorobutylsulfonyl)propyl]pyrrolidine
CID 117927830
(2R)-2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propyl]pyrrolidine
CID 117927884
(2R,4R)-4-Fluoro-2-(3-((4,4,4-trifluorobutyl)sulfonyl)propyl)pyrrolidine
CID 117927990

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine?
The IUPAC name of 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine (CID 106640372) is 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine.
What is the SMILES notation for 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine?
The canonical SMILES for 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine is CCS(=O)(=O)CCCC(F)C1CCCN1.
What is the InChIKey of 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine?
The InChIKey is MZXISOGWZQTUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-15(13,14)8-4-5-9(11)10-6-3-7-12-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine?
2-(4-ethylsulfonyl-1-fluorobutyl)pyrrolidine has a molecular weight of 237.34 g/mol, XLogP of 1.29, 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)pyrrolidine is sourced from PubChem (CID 106640372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).