2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile

C7H11FN2O2S — CID 130683374

IUPAC2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile
SMILESCC1(F)CCN(S(=O)(=O)CC#N)C1
InChIInChI=1S/C7H11FN2O2S/c1-7(8)2-4-10(6-7)13(11,12)5-3-9/h2,4-6H2,1H3
InChIKeyWHILRRNDEVLQPC-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.27
Rot. Bonds2

About 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile

2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile (PubChem CID 130683374) has the molecular formula C7H11FN2O2S and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile
PubChem CID130683374
Molecular FormulaC7H11FN2O2S
Molecular Weight206.24 g/mol
Exact Mass206.05
IUPAC Name2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile
SMILESCC1(F)CCN(S(=O)(=O)CC#N)C1
InChIInChI=1S/C7H11FN2O2S/c1-7(8)2-4-10(6-7)13(11,12)5-3-9/h2,4-6H2,1H3
InChIKeyWHILRRNDEVLQPC-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-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile?
The IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile (CID 130683374) is 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile.
What is the SMILES notation for 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile?
The canonical SMILES for 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile is CC1(F)CCN(S(=O)(=O)CC#N)C1.
What is the InChIKey of 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile?
The InChIKey is WHILRRNDEVLQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O2S/c1-7(8)2-4-10(6-7)13(11,12)5-3-9/h2,4-6H2,1H3.
What are the key properties of 2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile?
2-(3-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile 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-fluoro-3-methylpyrrolidin-1-yl)sulfonylacetonitrile is sourced from PubChem (CID 130683374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).