5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile

C10H12N2S — CID 115673657

IUPAC5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC1(NCc2cc(C#N)cs2)CC1
InChIInChI=1S/C10H12N2S/c1-10(2-3-10)12-6-9-4-8(5-11)7-13-9/h4,7,12H,2-3,6H2,1H3
InChIKeyJIJPOUVGQVYUEJ-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.26
Rot. Bonds3

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

5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 115673657) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID115673657
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC1(NCc2cc(C#N)cs2)CC1
InChIInChI=1S/C10H12N2S/c1-10(2-3-10)12-6-9-4-8(5-11)7-13-9/h4,7,12H,2-3,6H2,1H3
InChIKeyJIJPOUVGQVYUEJ-UHFFFAOYSA-N
XLogP2.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile (CID 115673657) is 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile is CC1(NCc2cc(C#N)cs2)CC1.
What is the InChIKey of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is JIJPOUVGQVYUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-10(2-3-10)12-6-9-4-8(5-11)7-13-9/h4,7,12H,2-3,6H2,1H3.
What are the key properties of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile?
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 192.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 115673657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).