5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile

C14H14N2S2 — CID 113268266

IUPAC5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile
SMILESCCSc1ccccc1NCc1ccc(C#N)s1
InChIInChI=1S/C14H14N2S2/c1-2-17-14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,2,10H2,1H3
InChIKeyJHCYYKRICROAPD-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.34
Rot. Bonds5

About 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile

5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile (PubChem CID 113268266) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile
PubChem CID113268266
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile
SMILESCCSc1ccccc1NCc1ccc(C#N)s1
InChIInChI=1S/C14H14N2S2/c1-2-17-14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,2,10H2,1H3
InChIKeyJHCYYKRICROAPD-UHFFFAOYSA-N
XLogP4.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-cyanoanilino)methyl]thiophene-2-carbonitrile
CID 113481571
5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250104
5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile
CID 113281796
5-[[2-(2-methylpropoxy)anilino]methyl]thiophene-2-carbonitrile
CID 115743830
5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675962
2-[4-[(2-ethylsulfanylanilino)methyl]phenoxy]acetonitrile
CID 60935691
methyl 3-[(5-cyanothiophen-2-yl)methylamino]-2-methylbenzoate
CID 115975897
5-[(5-bromo-2-methylanilino)methyl]thiophene-2-carbonitrile
CID 115742776
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[(2,5-diethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743463
5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 115899681
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile (CID 113268266) is 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile is CCSc1ccccc1NCc1ccc(C#N)s1.
What is the InChIKey of 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile?
The InChIKey is JHCYYKRICROAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-2-17-14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,2,10H2,1H3.
What are the key properties of 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile?
5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 113268266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).