5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile

C14H18N2S — CID 115675957

IUPAC5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC(C2CC2)C2CC2)s1
InChIInChI=1S/C14H18N2S/c15-7-12-5-6-13(17-12)8-16-9-14(10-1-2-10)11-3-4-11/h5-6,10-11,14,16H,1-4,8-9H2
InChIKeyLIWVEYNRXOGEON-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.15
Rot. Bonds6

About 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile

5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675957) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675957
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC(C2CC2)C2CC2)s1
InChIInChI=1S/C14H18N2S/c15-7-12-5-6-13(17-12)8-16-9-14(10-1-2-10)11-3-4-11/h5-6,10-11,14,16H,1-4,8-9H2
InChIKeyLIWVEYNRXOGEON-UHFFFAOYSA-N
XLogP3.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[(2-ethyl-4-hydroxybutyl)amino]methyl]thiophene-2-carbonitrile
CID 115689771
5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
CID 107411515
5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675851
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile
CID 113250085
5-[[(3-hydroxycyclohexyl)methylamino]methyl]thiophene-2-carbonitrile
CID 103729242
5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile
CID 129322683
5-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]thiophene-2-carbonitrile
CID 113250087
5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675503

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile (CID 115675957) is 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNCC(C2CC2)C2CC2)s1.
What is the InChIKey of 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is LIWVEYNRXOGEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-7-12-5-6-13(17-12)8-16-9-14(10-1-2-10)11-3-4-11/h5-6,10-11,14,16H,1-4,8-9H2.
What are the key properties of 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile?
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 246.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).