5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide

C14H20N2OS — CID 79683789

IUPAC5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
SMILESCCCC(CC)NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C14H20N2OS/c1-3-6-12(4-2)16-14(17)11-9-13(18-10-11)7-5-8-15/h9-10,12H,3-4,6,8,15H2,1-2H3,(H,16,17)
InChIKeyQWSORPJGSBCSBQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.37
Rot. Bonds5

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

5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide (PubChem CID 79683789) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
PubChem CID79683789
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
SMILESCCCC(CC)NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C14H20N2OS/c1-3-6-12(4-2)16-14(17)11-9-13(18-10-11)7-5-8-15/h9-10,12H,3-4,6,8,15H2,1-2H3,(H,16,17)
InChIKeyQWSORPJGSBCSBQ-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
3-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-2-carboxamide
CID 63800405
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
CID 79696529
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696596
N-heptan-2-yl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696487
5-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79684443
5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
CID 79691515
5-(3-aminoprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 79696256

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide (CID 79683789) is 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide is CCCC(CC)NC(=O)c1csc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide?
The InChIKey is QWSORPJGSBCSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-6-12(4-2)16-14(17)11-9-13(18-10-11)7-5-8-15/h9-10,12H,3-4,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.37, 5 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-hexan-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 79683789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).