2-pyrrolidin-1-ylsulfonylacetonitrile

C6H10N2O2S — CID 39733770

IUPAC2-pyrrolidin-1-ylsulfonylacetonitrile
SMILESN#CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H10N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-2,4-6H2
InChIKeyODPCVGZTEVIPLL-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.06
Rot. Bonds2

About 2-pyrrolidin-1-ylsulfonylacetonitrile

2-pyrrolidin-1-ylsulfonylacetonitrile (PubChem CID 39733770) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylsulfonylacetonitrile.

Molecular Properties

Compound Name2-pyrrolidin-1-ylsulfonylacetonitrile
PubChem CID39733770
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-pyrrolidin-1-ylsulfonylacetonitrile
SMILESN#CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H10N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-2,4-6H2
InChIKeyODPCVGZTEVIPLL-UHFFFAOYSA-N
XLogP-0.06
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylsulfonylacetonitrile?
The IUPAC name of 2-pyrrolidin-1-ylsulfonylacetonitrile (CID 39733770) is 2-pyrrolidin-1-ylsulfonylacetonitrile.
What is the SMILES notation for 2-pyrrolidin-1-ylsulfonylacetonitrile?
The canonical SMILES for 2-pyrrolidin-1-ylsulfonylacetonitrile is N#CCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylsulfonylacetonitrile?
The InChIKey is ODPCVGZTEVIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-2,4-6H2.
What are the key properties of 2-pyrrolidin-1-ylsulfonylacetonitrile?
2-pyrrolidin-1-ylsulfonylacetonitrile has a molecular weight of 174.22 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylsulfonylacetonitrile is sourced from PubChem (CID 39733770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).