3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile

C11H14N2OS — CID 63223350

IUPAC3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
SMILESCC(CC#N)N(C)CC(=O)c1cccs1
InChIInChI=1S/C11H14N2OS/c1-9(5-6-12)13(2)8-10(14)11-4-3-7-15-11/h3-4,7,9H,5,8H2,1-2H3
InChIKeyNAPCJDUXCDBNQK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.16
Rot. Bonds5

About 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile

3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile (PubChem CID 63223350) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
PubChem CID63223350
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
SMILESCC(CC#N)N(C)CC(=O)c1cccs1
InChIInChI=1S/C11H14N2OS/c1-9(5-6-12)13(2)8-10(14)11-4-3-7-15-11/h3-4,7,9H,5,8H2,1-2H3
InChIKeyNAPCJDUXCDBNQK-UHFFFAOYSA-N
XLogP2.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
3-[[2-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223481
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
2-amino-N-methyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide
CID 77144663
4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
CID 79488497
3-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223172
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
1-thiophen-2-ylpropan-1-one
CID 26179
3-[[2-(1-benzofuran-2-yl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223390
2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78889854
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile?
The IUPAC name of 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile (CID 63223350) is 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile.
What is the SMILES notation for 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile?
The canonical SMILES for 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile is CC(CC#N)N(C)CC(=O)c1cccs1.
What is the InChIKey of 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile?
The InChIKey is NAPCJDUXCDBNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9(5-6-12)13(2)8-10(14)11-4-3-7-15-11/h3-4,7,9H,5,8H2,1-2H3.
What are the key properties of 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile?
3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile has a molecular weight of 222.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile is sourced from PubChem (CID 63223350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).