2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile

C7H11FN2O2S — CID 164657977

IUPAC2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H11FN2O2S/c1-6(4-9)13(11,12)10-3-2-7(8)5-10/h6-7H,2-3,5H2,1H3
InChIKeyQGVJGZLJYMYSAT-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.27
Rot. Bonds2

About 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile

2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile (PubChem CID 164657977) has the molecular formula C7H11FN2O2S and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile
PubChem CID164657977
Molecular FormulaC7H11FN2O2S
Molecular Weight206.24 g/mol
Exact Mass206.05
IUPAC Name2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H11FN2O2S/c1-6(4-9)13(11,12)10-3-2-7(8)5-10/h6-7H,2-3,5H2,1H3
InChIKeyQGVJGZLJYMYSAT-UHFFFAOYSA-N
XLogP0.27
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile (CID 164657977) is 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile is CC(C#N)S(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile?
The InChIKey is QGVJGZLJYMYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O2S/c1-6(4-9)13(11,12)10-3-2-7(8)5-10/h6-7H,2-3,5H2,1H3.
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile?
2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile has a molecular weight of 206.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)sulfonylpropanenitrile is sourced from PubChem (CID 164657977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).