4-[(dimethylamino)methyl]thiophene-3-carbonitrile

C8H10N2S — CID 119084949

IUPAC4-[(dimethylamino)methyl]thiophene-3-carbonitrile
SMILESCN(C)Cc1cscc1C#N
InChIInChI=1S/C8H10N2S/c1-10(2)4-8-6-11-5-7(8)3-9/h5-6H,4H2,1-2H3
InChIKeyHVZDQMAYXYJCMV-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.68
Rot. Bonds2

About 4-[(dimethylamino)methyl]thiophene-3-carbonitrile

4-[(dimethylamino)methyl]thiophene-3-carbonitrile (PubChem CID 119084949) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]thiophene-3-carbonitrile
PubChem CID119084949
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4-[(dimethylamino)methyl]thiophene-3-carbonitrile
SMILESCN(C)Cc1cscc1C#N
InChIInChI=1S/C8H10N2S/c1-10(2)4-8-6-11-5-7(8)3-9/h5-6H,4H2,1-2H3
InChIKeyHVZDQMAYXYJCMV-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(dimethylamino)methyl]thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 4-[(dimethylamino)methyl]thiophene-3-carbonitrile (CID 119084949) is 4-[(dimethylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 4-[(dimethylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 4-[(dimethylamino)methyl]thiophene-3-carbonitrile is CN(C)Cc1cscc1C#N.
What is the InChIKey of 4-[(dimethylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is HVZDQMAYXYJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-10(2)4-8-6-11-5-7(8)3-9/h5-6H,4H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]thiophene-3-carbonitrile?
4-[(dimethylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 166.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 119084949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).