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

C12H16N2S — CID 115768375

IUPAC5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)C1CCC1
InChIInChI=1S/C12H16N2S/c1-9(11-3-2-4-11)14-7-12-5-10(6-13)8-15-12/h5,8-9,11,14H,2-4,7H2,1H3
InChIKeyGKUNQTIGNLPSFD-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.90
Rot. Bonds4

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

5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile (PubChem CID 115768375) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
PubChem CID115768375
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)C1CCC1
InChIInChI=1S/C12H16N2S/c1-9(11-3-2-4-11)14-7-12-5-10(6-13)8-15-12/h5,8-9,11,14H,2-4,7H2,1H3
InChIKeyGKUNQTIGNLPSFD-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
5-[(4-methylpentan-2-ylamino)methyl]thiophene-3-carbonitrile
CID 79614341
5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophene-3-carbonitrile
CID 79614141
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]thiophene-3-carbonitrile
CID 79552930
5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile
CID 79553461
5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114543819
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile
CID 79552920
5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79538677
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553787

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile (CID 115768375) is 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile is CC(NCc1cc(C#N)cs1)C1CCC1.
What is the InChIKey of 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is GKUNQTIGNLPSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9(11-3-2-4-11)14-7-12-5-10(6-13)8-15-12/h5,8-9,11,14H,2-4,7H2,1H3.
What are the key properties of 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile?
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 115768375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).