5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide

C15H23N3OS — CID 61479130

IUPAC5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H23N3OS/c1-11(2)13(10-18(3)4)17-15(19)14-8-7-12(20-14)6-5-9-16/h7-8,11,13H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyFVEPYNMQGUAFFL-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.37
Rot. Bonds5

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

5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide (PubChem CID 61479130) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
PubChem CID61479130
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H23N3OS/c1-11(2)13(10-18(3)4)17-15(19)14-8-7-12(20-14)6-5-9-16/h7-8,11,13H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyFVEPYNMQGUAFFL-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 63010792
5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 104592147
5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
CID 113476135
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
5-(3-aminoprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 61074964
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
CID 64733139

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide (CID 61479130) is 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide is CC(C)C(CN(C)C)NC(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide?
The InChIKey is FVEPYNMQGUAFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(2)13(10-18(3)4)17-15(19)14-8-7-12(20-14)6-5-9-16/h7-8,11,13H,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 1.37, 5 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-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 61479130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).