2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide

C11H14N2OS — CID 60778927

IUPAC2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)C#N)c1cccs1
InChIInChI=1S/C11H14N2OS/c1-8(9-5-4-6-15-9)13-10(14)11(2,3)7-12/h4-6,8H,1-3H3,(H,13,14)
InChIKeyIIYTWTVEGQTOAB-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.48
Rot. Bonds3

About 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide

2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 60778927) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID60778927
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)C#N)c1cccs1
InChIInChI=1S/C11H14N2OS/c1-8(9-5-4-6-15-9)13-10(14)11(2,3)7-12/h4-6,8H,1-3H3,(H,13,14)
InChIKeyIIYTWTVEGQTOAB-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide (CID 60778927) is 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide is CC(NC(=O)C(C)(C)C#N)c1cccs1.
What is the InChIKey of 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is IIYTWTVEGQTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(9-5-4-6-15-9)13-10(14)11(2,3)7-12/h4-6,8H,1-3H3,(H,13,14).
What are the key properties of 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide?
2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 222.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 60778927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).