5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile

C14H21N3S — CID 113250050

IUPAC5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(CN1CCCCC1)NCc1ccc(C#N)s1
InChIInChI=1S/C14H21N3S/c1-12(11-17-7-3-2-4-8-17)16-10-14-6-5-13(9-15)18-14/h5-6,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyVMGBGEBGWBVSOX-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.58
Rot. Bonds5

About 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile

5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (PubChem CID 113250050) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
PubChem CID113250050
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(CN1CCCCC1)NCc1ccc(C#N)s1
InChIInChI=1S/C14H21N3S/c1-12(11-17-7-3-2-4-8-17)16-10-14-6-5-13(9-15)18-14/h5-6,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyVMGBGEBGWBVSOX-UHFFFAOYSA-N
XLogP2.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675962
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile
CID 115675572
5-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675608
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675506
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906

Frequently Asked Questions

What is the IUPAC name of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (CID 113250050) is 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is CC(CN1CCCCC1)NCc1ccc(C#N)s1.
What is the InChIKey of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is VMGBGEBGWBVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-12(11-17-7-3-2-4-8-17)16-10-14-6-5-13(9-15)18-14/h5-6,12,16H,2-4,7-8,10-11H2,1H3.
What are the key properties of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 263.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 113250050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).