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

C12H16N2S — CID 115675866

IUPAC5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(CC1CC1)NCc1ccc(C#N)s1
InChIInChI=1S/C12H16N2S/c1-9(6-10-2-3-10)14-8-12-5-4-11(7-13)15-12/h4-5,9-10,14H,2-3,6,8H2,1H3
InChIKeyNCUAYODPLPQDER-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.90
Rot. Bonds5

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

5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675866) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675866
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(CC1CC1)NCc1ccc(C#N)s1
InChIInChI=1S/C12H16N2S/c1-9(6-10-2-3-10)14-8-12-5-4-11(7-13)15-12/h4-5,9-10,14H,2-3,6,8H2,1H3
InChIKeyNCUAYODPLPQDER-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675962
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 113250050
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675608
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957
2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 115675429
5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
CID 107411515
5-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675586

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (CID 115675866) is 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is CC(CC1CC1)NCc1ccc(C#N)s1.
What is the InChIKey of 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is NCUAYODPLPQDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9(6-10-2-3-10)14-8-12-5-4-11(7-13)15-12/h4-5,9-10,14H,2-3,6,8H2,1H3.
What are the key properties of 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).