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

C10H11N3S — CID 104586907

IUPAC5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(CC#N)NCc1ccc(C#N)s1
InChIInChI=1S/C10H11N3S/c1-8(4-5-11)13-7-10-3-2-9(6-12)14-10/h2-3,8,13H,4,7H2,1H3
InChIKeyDRESMLORSYWRHY-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.01
Rot. Bonds4

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

5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile (PubChem CID 104586907) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
PubChem CID104586907
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(CC#N)NCc1ccc(C#N)s1
InChIInChI=1S/C10H11N3S/c1-8(4-5-11)13-7-10-3-2-9(6-12)14-10/h2-3,8,13H,4,7H2,1H3
InChIKeyDRESMLORSYWRHY-UHFFFAOYSA-N
XLogP2.01
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.01
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-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675962
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
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-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 113250050
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675586
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675506
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile (CID 104586907) is 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile is CC(CC#N)NCc1ccc(C#N)s1.
What is the InChIKey of 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is DRESMLORSYWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8(4-5-11)13-7-10-3-2-9(6-12)14-10/h2-3,8,13H,4,7H2,1H3.
What are the key properties of 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile?
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 205.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 104586907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).