5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile

C12H16N2S — CID 103735569

IUPAC5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile
SMILESCCC1(CNCc2ccc(C#N)s2)CC1
InChIInChI=1S/C12H16N2S/c1-2-12(5-6-12)9-14-8-11-4-3-10(7-13)15-11/h3-4,14H,2,5-6,8-9H2,1H3
InChIKeyYBDWLZJSLCHRGX-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.90
Rot. Bonds5

About 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile

5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile (PubChem CID 103735569) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile
PubChem CID103735569
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile
SMILESCCC1(CNCc2ccc(C#N)s2)CC1
InChIInChI=1S/C12H16N2S/c1-2-12(5-6-12)9-14-8-11-4-3-10(7-13)15-11/h3-4,14H,2,5-6,8-9H2,1H3
InChIKeyYBDWLZJSLCHRGX-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-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-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile (CID 103735569) is 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile is CCC1(CNCc2ccc(C#N)s2)CC1.
What is the InChIKey of 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile?
The InChIKey is YBDWLZJSLCHRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-12(5-6-12)9-14-8-11-4-3-10(7-13)15-11/h3-4,14H,2,5-6,8-9H2,1H3.
What are the key properties of 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile?
5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 103735569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).