5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile

C14H16N2OS — CID 115651694

IUPAC5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile
SMILESCC(C)C(NCc1ccc(C#N)o1)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-10(2)14(13-4-3-7-18-13)16-9-12-6-5-11(8-15)17-12/h3-7,10,14,16H,9H2,1-2H3
InChIKeyFVAGJFIORAHBMM-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.70
Rot. Bonds5

About 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile

5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115651694) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile
PubChem CID115651694
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile
SMILESCC(C)C(NCc1ccc(C#N)o1)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-10(2)14(13-4-3-7-18-13)16-9-12-6-5-11(8-15)17-12/h3-7,10,14,16H,9H2,1-2H3
InChIKeyFVAGJFIORAHBMM-UHFFFAOYSA-N
XLogP3.70
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
CID 115651624
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
5-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951
5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652358
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 79002812

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile (CID 115651694) is 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile is CC(C)C(NCc1ccc(C#N)o1)c1cccs1.
What is the InChIKey of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is FVAGJFIORAHBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(2)14(13-4-3-7-18-13)16-9-12-6-5-11(8-15)17-12/h3-7,10,14,16H,9H2,1-2H3.
What are the key properties of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile?
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 260.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).