5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide

C14H15N3O3S — CID 79998735

IUPAC5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCC(=O)NC2=O)sc1C#CCN
InChIInChI=1S/C14H15N3O3S/c1-8-7-11(21-10(8)3-2-6-15)14(20)16-9-4-5-12(18)17-13(9)19/h7,9H,4-6,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyODXKZFPEFIKOBD-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.10
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide (PubChem CID 79998735) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide
PubChem CID79998735
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCC(=O)NC2=O)sc1C#CCN
InChIInChI=1S/C14H15N3O3S/c1-8-7-11(21-10(8)3-2-6-15)14(20)16-9-4-5-12(18)17-13(9)19/h7,9H,4-6,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyODXKZFPEFIKOBD-UHFFFAOYSA-N
XLogP-0.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79978093
5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)-4-methylthiophene-2-carboxamide
CID 79990485
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 107420312
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 79990424
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 167377021
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346971
5-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79977854
5-(3-aminoprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-2-carboxamide
CID 79990232
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-carboxamide
CID 79998276
5-(3-aminoprop-1-ynyl)-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 79990588
5-(3-aminoprop-1-ynyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 79998550

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide (CID 79998735) is 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCC(=O)NC2=O)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is ODXKZFPEFIKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-7-11(21-10(8)3-2-6-15)14(20)16-9-4-5-12(18)17-13(9)19/h7,9H,4-6,15H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79998735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).