5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide

C14H14N2O4S — CID 79691136

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2csc(C#CCO)c2)C1=O
InChIInChI=1S/C14H14N2O4S/c1-16-12(18)5-4-11(14(16)20)15-13(19)9-7-10(21-8-9)3-2-6-17/h7-8,11,17H,4-6H2,1H3,(H,15,19)
InChIKeyIHRXBNPNOKFDQU-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.03
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide (PubChem CID 79691136) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
PubChem CID79691136
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2csc(C#CCO)c2)C1=O
InChIInChI=1S/C14H14N2O4S/c1-16-12(18)5-4-11(14(16)20)15-13(19)9-7-10(21-8-9)3-2-6-17/h7-8,11,17H,4-6H2,1H3,(H,15,19)
InChIKeyIHRXBNPNOKFDQU-UHFFFAOYSA-N
XLogP-0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79693917
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide
CID 107414953
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484
(3,4-dimethylpyrrolidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methanone
CID 79696793
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
CID 80536565
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
5-(4-hydroxybut-1-ynyl)-N-(2-hydroxycyclohexyl)thiophene-3-carboxamide
CID 79696708
4-[5-(3-hydroxyprop-1-ynyl)thiophene-3-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 102891727
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 106258829
5-(4-hydroxybut-1-ynyl)-N-(thiolan-3-yl)thiophene-3-carboxamide
CID 103064444
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 79692431

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide (CID 79691136) is 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide is CN1C(=O)CCC(NC(=O)c2csc(C#CCO)c2)C1=O.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
The InChIKey is IHRXBNPNOKFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-16-12(18)5-4-11(14(16)20)15-13(19)9-7-10(21-8-9)3-2-6-17/h7-8,11,17H,4-6H2,1H3,(H,15,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79691136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).