2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide

C12H21N3OS — CID 113279191

IUPAC2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(CCN(C)C)NC(=O)C(N)c1cccs1
InChIInChI=1S/C12H21N3OS/c1-9(6-7-15(2)3)14-12(16)11(13)10-5-4-8-17-10/h4-5,8-9,11H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyLKZNZIOYWGVVMD-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.20
Rot. Bonds6

About 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide

2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 113279191) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID113279191
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(CCN(C)C)NC(=O)C(N)c1cccs1
InChIInChI=1S/C12H21N3OS/c1-9(6-7-15(2)3)14-12(16)11(13)10-5-4-8-17-10/h4-5,8-9,11H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyLKZNZIOYWGVVMD-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide 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-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
2-amino-N-(1-ethoxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287106
2-amino-N-[1-(furan-2-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 113279094
2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287286
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404
(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-(1,1-dimethoxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287355
methyl (2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoate
CID 103954898
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoate
CID 115286243

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide (CID 113279191) is 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide is CC(CCN(C)C)NC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is LKZNZIOYWGVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(6-7-15(2)3)14-12(16)11(13)10-5-4-8-17-10/h4-5,8-9,11H,6-7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide?
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 255.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113279191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).