5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile

C15H16N2S — CID 79553082

IUPAC5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile
SMILESCCC(NCc1cc(C#N)cs1)c1ccccc1
InChIInChI=1S/C15H16N2S/c1-2-15(13-6-4-3-5-7-13)17-10-14-8-12(9-16)11-18-14/h3-8,11,15,17H,2,10H2,1H3
InChIKeyFUVAKRAHPLUSME-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.86
Rot. Bonds5

About 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile

5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile (PubChem CID 79553082) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile
PubChem CID79553082
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile
SMILESCCC(NCc1cc(C#N)cs1)c1ccccc1
InChIInChI=1S/C15H16N2S/c1-2-15(13-6-4-3-5-7-13)17-10-14-8-12(9-16)11-18-14/h3-8,11,15,17H,2,10H2,1H3
InChIKeyFUVAKRAHPLUSME-UHFFFAOYSA-N
XLogP3.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-phenylbutylamino)methyl]thiophene-3-carbonitrile
CID 79545043
5-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophene-3-carbonitrile
CID 79544750
5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81380013
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81376652
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545419
5-[(4-methylpentan-2-ylamino)methyl]thiophene-3-carbonitrile
CID 79614341
methyl 3-[(4-cyanothiophen-2-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 79614184
5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophene-3-carbonitrile
CID 79614141
5-[[1-(3-nitrophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79553149
1-(4-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]propan-1-amine
CID 79420232
5-[(2-methylsulfanylanilino)methyl]thiophene-3-carbonitrile
CID 79614263

Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile (CID 79553082) is 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile is CCC(NCc1cc(C#N)cs1)c1ccccc1.
What is the InChIKey of 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is FUVAKRAHPLUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-15(13-6-4-3-5-7-13)17-10-14-8-12(9-16)11-18-14/h3-8,11,15,17H,2,10H2,1H3.
What are the key properties of 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile?
5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 256.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79553082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).