2-amino-2-thiophen-3-ylacetonitrile

C6H6N2S — CID 14329400

IUPAC2-amino-2-thiophen-3-ylacetonitrile
SMILESN#CC(N)c1ccsc1
InChIInChI=1S/C6H6N2S/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6H,8H2
InChIKeyJGVBAZCHRMIVLP-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.27
Rot. Bonds1

About 2-amino-2-thiophen-3-ylacetonitrile

2-amino-2-thiophen-3-ylacetonitrile (PubChem CID 14329400) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-amino-2-thiophen-3-ylacetonitrile.

Molecular Properties

Compound Name2-amino-2-thiophen-3-ylacetonitrile
PubChem CID14329400
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name2-amino-2-thiophen-3-ylacetonitrile
SMILESN#CC(N)c1ccsc1
InChIInChI=1S/C6H6N2S/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6H,8H2
InChIKeyJGVBAZCHRMIVLP-UHFFFAOYSA-N
XLogP1.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-3-ylacetonitrile?
The IUPAC name of 2-amino-2-thiophen-3-ylacetonitrile (CID 14329400) is 2-amino-2-thiophen-3-ylacetonitrile.
What is the SMILES notation for 2-amino-2-thiophen-3-ylacetonitrile?
The canonical SMILES for 2-amino-2-thiophen-3-ylacetonitrile is N#CC(N)c1ccsc1.
What is the InChIKey of 2-amino-2-thiophen-3-ylacetonitrile?
The InChIKey is JGVBAZCHRMIVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6H,8H2.
What are the key properties of 2-amino-2-thiophen-3-ylacetonitrile?
2-amino-2-thiophen-3-ylacetonitrile has a molecular weight of 138.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-thiophen-3-ylacetonitrile is sourced from PubChem (CID 14329400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).