2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile

C8H11FN2O2S — CID 131140880

IUPAC2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H11FN2O2S/c1-7(5-10)14(12,13)11-4-2-3-8(9)6-11/h3,7H,2,4,6H2,1H3
InChIKeyDSHPMPNFQIMSIE-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.79
Rot. Bonds2

About 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile

2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile (PubChem CID 131140880) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile.

Molecular Properties

Compound Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
PubChem CID131140880
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H11FN2O2S/c1-7(5-10)14(12,13)11-4-2-3-8(9)6-11/h3,7H,2,4,6H2,1H3
InChIKeyDSHPMPNFQIMSIE-UHFFFAOYSA-N
XLogP0.79
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile?
The IUPAC name of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile (CID 131140880) is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile.
What is the SMILES notation for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile?
The canonical SMILES for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile is CC(C#N)S(=O)(=O)N1CCC=C(F)C1.
What is the InChIKey of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile?
The InChIKey is DSHPMPNFQIMSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-7(5-10)14(12,13)11-4-2-3-8(9)6-11/h3,7H,2,4,6H2,1H3.
What are the key properties of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile?
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile has a molecular weight of 218.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile is sourced from PubChem (CID 131140880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).