5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide

C14H18N2O2S — CID 79696596

IUPAC5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(C#CCN)c1)C1CCCO1
InChIInChI=1S/C14H18N2O2S/c1-10(13-5-3-7-18-13)16-14(17)11-8-12(19-9-11)4-2-6-15/h8-10,13H,3,5-7,15H2,1H3,(H,16,17)
InChIKeyQPUYTLXDIVWERX-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.36
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 79696596) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID79696596
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(C#CCN)c1)C1CCCO1
InChIInChI=1S/C14H18N2O2S/c1-10(13-5-3-7-18-13)16-14(17)11-8-12(19-9-11)4-2-6-15/h8-10,13H,3,5-7,15H2,1H3,(H,16,17)
InChIKeyQPUYTLXDIVWERX-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
CID 29037742
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
3-[4-[1-(oxolan-2-yl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683844
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
CID 79683789
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
5-(3-aminoprop-1-ynyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-3-carboxamide
CID 79691917
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
CID 79691515

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide (CID 79696596) is 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1csc(C#CCN)c1)C1CCCO1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is QPUYTLXDIVWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(13-5-3-7-18-13)16-14(17)11-8-12(19-9-11)4-2-6-15/h8-10,13H,3,5-7,15H2,1H3,(H,16,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 79696596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).