5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide

C12H16N2OS — CID 79696864

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
SMILESCC(C)CNC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C12H16N2OS/c1-9(2)7-14-12(15)10-6-11(16-8-10)4-3-5-13/h6,8-9H,5,7,13H2,1-2H3,(H,14,15)
InChIKeyQFQJWFIKWYGBPL-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.44
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide (PubChem CID 79696864) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
PubChem CID79696864
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
SMILESCC(C)CNC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C12H16N2OS/c1-9(2)7-14-12(15)10-6-11(16-8-10)4-3-5-13/h6,8-9H,5,7,13H2,1-2H3,(H,14,15)
InChIKeyQFQJWFIKWYGBPL-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]acetate
CID 79696589
5-(3-aminoprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 79696256
5-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]thiophene-3-carboxamide
CID 83115426
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
N-(3-amino-3-oxopropyl)-5-(3-aminoprop-1-ynyl)thiophene-3-carboxamide
CID 79683930
5-(3-aminoprop-1-ynyl)-N-(3-methoxypropyl)thiophene-3-carboxamide
CID 79684582
N-(2,3-dimethylbutyl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 79696789
5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
CID 79683789
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
5-(3-aminoprop-1-ynyl)-N-[2-(2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 79756423
5-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]thiophene-3-carboxamide
CID 79684114

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide (CID 79696864) is 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide is CC(C)CNC(=O)c1csc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide?
The InChIKey is QFQJWFIKWYGBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(2)7-14-12(15)10-6-11(16-8-10)4-3-5-13/h6,8-9H,5,7,13H2,1-2H3,(H,14,15).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 79696864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).