5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide

C13H15NO3S — CID 82748571

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCO)s1)C1CCOC1
InChIInChI=1S/C13H15NO3S/c1-14(10-6-8-17-9-10)13(16)12-5-4-11(18-12)3-2-7-15/h4-5,10,15H,6-9H2,1H3
InChIKeyJYBNHSMWLFXOCM-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.95
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide (PubChem CID 82748571) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
PubChem CID82748571
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCO)s1)C1CCOC1
InChIInChI=1S/C13H15NO3S/c1-14(10-6-8-17-9-10)13(16)12-5-4-11(18-12)3-2-7-15/h4-5,10,15H,6-9H2,1H3
InChIKeyJYBNHSMWLFXOCM-UHFFFAOYSA-N
XLogP0.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 61074743
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
3-(3-hydroxyprop-1-ynyl)-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748039
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
5-(3-hydroxyprop-1-ynyl)-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82749477
N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076880
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61075114
3-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63712300
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)-N-methylthiophene-2-carboxamide
CID 62981333
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 103190506
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82729493
N-butyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075090

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide (CID 82748571) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide is CN(C(=O)c1ccc(C#CCO)s1)C1CCOC1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
The InChIKey is JYBNHSMWLFXOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-14(10-6-8-17-9-10)13(16)12-5-4-11(18-12)3-2-7-15/h4-5,10,15H,6-9H2,1H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 82748571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).