5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile

C14H20N2S — CID 79553787

IUPAC5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC1CC(C)CC(NCc2cc(C#N)cs2)C1
InChIInChI=1S/C14H20N2S/c1-10-3-11(2)5-13(4-10)16-8-14-6-12(7-15)9-17-14/h6,9-11,13,16H,3-5,8H2,1-2H3
InChIKeyFKBHHGSJHRNHCD-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.53
Rot. Bonds3

About 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile

5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 79553787) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID79553787
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC1CC(C)CC(NCc2cc(C#N)cs2)C1
InChIInChI=1S/C14H20N2S/c1-10-3-11(2)5-13(4-10)16-8-14-6-12(7-15)9-17-14/h6,9-11,13,16H,3-5,8H2,1-2H3
InChIKeyFKBHHGSJHRNHCD-UHFFFAOYSA-N
XLogP3.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[(3,5-dimethylcyclohexyl)amino]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 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile (CID 79553787) is 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile is CC1CC(C)CC(NCc2cc(C#N)cs2)C1.
What is the InChIKey of 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is FKBHHGSJHRNHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10-3-11(2)5-13(4-10)16-8-14-6-12(7-15)9-17-14/h6,9-11,13,16H,3-5,8H2,1-2H3.
What are the key properties of 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 248.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79553787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).