5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide

C13H18N2OS — CID 61074576

IUPAC5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C13H18N2OS/c1-2-3-4-10-15-13(16)12-8-7-11(17-12)6-5-9-14/h7-8H,2-4,9-10,14H2,1H3,(H,15,16)
InChIKeyNRGYHPKEBIGAJS-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.98
Rot. Bonds5

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

5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide (PubChem CID 61074576) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
PubChem CID61074576
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C13H18N2OS/c1-2-3-4-10-15-13(16)12-8-7-11(17-12)6-5-9-14/h7-8H,2-4,9-10,14H2,1H3,(H,15,16)
InChIKeyNRGYHPKEBIGAJS-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide
CID 61075127
5-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 61075848
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61075669
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentyloxyethyl)thiophene-2-carboxamide
CID 63834263
5-(3-aminoprop-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326823
N-[3-(diethylamino)propyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075095

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide (CID 61074576) is 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide is CCCCCNC(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide?
The InChIKey is NRGYHPKEBIGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-3-4-10-15-13(16)12-8-7-11(17-12)6-5-9-14/h7-8H,2-4,9-10,14H2,1H3,(H,15,16).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.98, 5 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-pentylthiophene-2-carboxamide is sourced from PubChem (CID 61074576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).