N-pent-1-yn-3-ylthiophene-3-carboxamide

C10H11NOS — CID 103579364

IUPACN-pent-1-yn-3-ylthiophene-3-carboxamide
SMILESC#CC(CC)NC(=O)c1ccsc1
InChIInChI=1S/C10H11NOS/c1-3-9(4-2)11-10(12)8-5-6-13-7-8/h1,5-7,9H,4H2,2H3,(H,11,12)
InChIKeyFOPDTQYTMWATNE-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.89
Rot. Bonds3

About N-pent-1-yn-3-ylthiophene-3-carboxamide

N-pent-1-yn-3-ylthiophene-3-carboxamide (PubChem CID 103579364) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-pent-1-yn-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-ylthiophene-3-carboxamide
PubChem CID103579364
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-pent-1-yn-3-ylthiophene-3-carboxamide
SMILESC#CC(CC)NC(=O)c1ccsc1
InChIInChI=1S/C10H11NOS/c1-3-9(4-2)11-10(12)8-5-6-13-7-8/h1,5-7,9H,4H2,2H3,(H,11,12)
InChIKeyFOPDTQYTMWATNE-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dihydroxy-N-pent-1-yn-3-ylbenzamide
CID 103579335
N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 64992041
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 47459937
3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579009
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide
CID 103579292
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
N-(1-cyclohexylprop-2-ynyl)thiophene-3-carboxamide
CID 123668523
N-pent-1-yn-3-yl-1-benzothiophene-3-carboxamide
CID 103578886
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-ylthiophene-3-carboxamide?
The IUPAC name of N-pent-1-yn-3-ylthiophene-3-carboxamide (CID 103579364) is N-pent-1-yn-3-ylthiophene-3-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-ylthiophene-3-carboxamide?
The canonical SMILES for N-pent-1-yn-3-ylthiophene-3-carboxamide is C#CC(CC)NC(=O)c1ccsc1.
What is the InChIKey of N-pent-1-yn-3-ylthiophene-3-carboxamide?
The InChIKey is FOPDTQYTMWATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-9(4-2)11-10(12)8-5-6-13-7-8/h1,5-7,9H,4H2,2H3,(H,11,12).
What are the key properties of N-pent-1-yn-3-ylthiophene-3-carboxamide?
N-pent-1-yn-3-ylthiophene-3-carboxamide has a molecular weight of 193.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 103579364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).