5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile

C9H10N2OS — CID 55297411

IUPAC5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile
SMILESCN(C)CC(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H10N2OS/c1-11(2)6-8(12)9-4-3-7(5-10)13-9/h3-4H,6H2,1-2H3
InChIKeyJYPUUODXKOSTAR-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.36
Rot. Bonds3

About 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile

5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile (PubChem CID 55297411) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile
PubChem CID55297411
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile
SMILESCN(C)CC(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H10N2OS/c1-11(2)6-8(12)9-4-3-7(5-10)13-9/h3-4H,6H2,1-2H3
InChIKeyJYPUUODXKOSTAR-UHFFFAOYSA-N
XLogP1.36
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile (CID 55297411) is 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile is CN(C)CC(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile?
The InChIKey is JYPUUODXKOSTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-11(2)6-8(12)9-4-3-7(5-10)13-9/h3-4H,6H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile?
5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile is sourced from PubChem (CID 55297411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).