3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine

C9H18FNO2S — CID 112564377

IUPAC3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine
SMILESCCS(=O)(=O)CCCC1(F)CCNC1
InChIInChI=1S/C9H18FNO2S/c1-2-14(12,13)7-3-4-9(10)5-6-11-8-9/h11H,2-8H2,1H3
InChIKeyPPMJZNNDXWWWIE-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.90
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine

3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine (PubChem CID 112564377) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine
PubChem CID112564377
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine
SMILESCCS(=O)(=O)CCCC1(F)CCNC1
InChIInChI=1S/C9H18FNO2S/c1-2-14(12,13)7-3-4-9(10)5-6-11-8-9/h11H,2-8H2,1H3
InChIKeyPPMJZNNDXWWWIE-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine (CID 112564377) is 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine is CCS(=O)(=O)CCCC1(F)CCNC1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine?
The InChIKey is PPMJZNNDXWWWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-2-14(12,13)7-3-4-9(10)5-6-11-8-9/h11H,2-8H2,1H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine?
3-(3-ethylsulfonylpropyl)-3-fluoropyrrolidine has a molecular weight of 223.31 g/mol, XLogP of 0.90, 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-fluoropyrrolidine is sourced from PubChem (CID 112564377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).