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

C13H14N2O3S — CID 106258829

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(C#CCO)s2)C1=O
InChIInChI=1S/C13H14N2O3S/c1-15-7-6-10(13(15)18)14-12(17)11-5-4-9(19-11)3-2-8-16/h4-5,10,16H,6-8H2,1H3,(H,14,17)
InChIKeyLFPPRYCOXPARTL-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.05
Rot. Bonds2

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

5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide (PubChem CID 106258829) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide
PubChem CID106258829
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(C#CCO)s2)C1=O
InChIInChI=1S/C13H14N2O3S/c1-15-7-6-10(13(15)18)14-12(17)11-5-4-9(19-11)3-2-8-16/h4-5,10,16H,6-8H2,1H3,(H,14,17)
InChIKeyLFPPRYCOXPARTL-UHFFFAOYSA-N
XLogP0.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide (CID 106258829) is 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide is CN1CCC(NC(=O)c2ccc(C#CCO)s2)C1=O.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
The InChIKey is LFPPRYCOXPARTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15-7-6-10(13(15)18)14-12(17)11-5-4-9(19-11)3-2-8-16/h4-5,10,16H,6-8H2,1H3,(H,14,17).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 106258829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).