2-(dimethylamino)-2-thiophen-2-ylacetonitrile

C8H10N2S — CID 10702333

IUPAC2-(dimethylamino)-2-thiophen-2-ylacetonitrile
SMILESCN(C)C(C#N)c1cccs1
InChIInChI=1S/C8H10N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,1-2H3
InChIKeyURQJGINXGUXZQL-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.87
Rot. Bonds2

About 2-(dimethylamino)-2-thiophen-2-ylacetonitrile

2-(dimethylamino)-2-thiophen-2-ylacetonitrile (PubChem CID 10702333) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-(dimethylamino)-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-thiophen-2-ylacetonitrile
PubChem CID10702333
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-(dimethylamino)-2-thiophen-2-ylacetonitrile
SMILESCN(C)C(C#N)c1cccs1
InChIInChI=1S/C8H10N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,1-2H3
InChIKeyURQJGINXGUXZQL-UHFFFAOYSA-N
XLogP1.87
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-thiophen-2-ylacetonitrile?
The IUPAC name of 2-(dimethylamino)-2-thiophen-2-ylacetonitrile (CID 10702333) is 2-(dimethylamino)-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-thiophen-2-ylacetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-thiophen-2-ylacetonitrile is CN(C)C(C#N)c1cccs1.
What is the InChIKey of 2-(dimethylamino)-2-thiophen-2-ylacetonitrile?
The InChIKey is URQJGINXGUXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-thiophen-2-ylacetonitrile?
2-(dimethylamino)-2-thiophen-2-ylacetonitrile has a molecular weight of 166.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 10702333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).