(2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile

C7H12N2O2S — CID 39871730

IUPAC(2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile
SMILESCCS(=O)(=O)N1CCC[C@@H]1C#N
InChIInChI=1S/C7H12N2O2S/c1-2-12(10,11)9-5-3-4-7(9)6-8/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyJSHZZFOWHNLLJJ-SSDOTTSWSA-N
MW188.25 g/mol
LogP0.32
Rot. Bonds2

About (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile

(2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile (PubChem CID 39871730) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile
PubChem CID39871730
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name(2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile
SMILESCCS(=O)(=O)N1CCC[C@@H]1C#N
InChIInChI=1S/C7H12N2O2S/c1-2-12(10,11)9-5-3-4-7(9)6-8/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyJSHZZFOWHNLLJJ-SSDOTTSWSA-N
XLogP0.32
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidine-2-carbonitrile
CID 83060111
2-[2-(Fluoromethyl)pyrrolidin-1-yl]sulfonylacetonitrile
CID 131107603
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]butanenitrile
CID 164653534
1-Ethylsulfonyl-2-methylpyrrolidine
CID 58733431
2-(5-Methyl-1-methylsulfonylpyrrolidin-2-yl)acetonitrile
CID 59877318
1,2-Dimethylpyrrolidine-3-sulfonamide
CID 89267184
1-Ethylsulfonylpyrrolidine-3-carbonitrile
CID 123464046
(1-Methylpyrrolidin-2-yl)methanesulfonamide
CID 130723611
2-(2-Methylpyrrolidin-1-yl)ethanesulfonamide
CID 130962307
(1-Ethylpyrrolidin-2-yl)methanesulfonamide
CID 137500357
[(2S)-1-methylpyrrolidin-2-yl]methanesulfonamide
CID 167469003
(2-Cyanopyrrolidin-1-yl) methanesulfonate
CID 174544632

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile (CID 39871730) is (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile is CCS(=O)(=O)N1CCC[C@@H]1C#N.
What is the InChIKey of (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile?
The InChIKey is JSHZZFOWHNLLJJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-2-12(10,11)9-5-3-4-7(9)6-8/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile?
(2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile has a molecular weight of 188.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethylsulfonylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 39871730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).