5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide

C12H16N2OS — CID 61075649

IUPAC5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C12H16N2OS/c1-3-9(2)14-12(15)11-7-6-10(16-11)5-4-8-13/h6-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyVUESVDIQMMJUJP-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.59
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide (PubChem CID 61075649) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
PubChem CID61075649
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C12H16N2OS/c1-3-9(2)14-12(15)11-7-6-10(16-11)5-4-8-13/h6-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyVUESVDIQMMJUJP-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide 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

5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 63010792
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 61479130
5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
CID 61074909
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 104592147
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
CID 61076019
5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 107642862
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
CID 64733139

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide (CID 61075649) is 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide is CCC(C)NC(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide?
The InChIKey is VUESVDIQMMJUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-9(2)14-12(15)11-7-6-10(16-11)5-4-8-13/h6-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 61075649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).