N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide

C12H15NOS — CID 103529071

IUPACN-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
SMILESC#CC(CCC)NC(=O)c1cscc1C
InChIInChI=1S/C12H15NOS/c1-4-6-10(5-2)13-12(14)11-8-15-7-9(11)3/h2,7-8,10H,4,6H2,1,3H3,(H,13,14)
InChIKeyRUOCQCYBXSRBKF-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.59
Rot. Bonds4

About N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide

N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide (PubChem CID 103529071) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
PubChem CID103529071
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
SMILESC#CC(CCC)NC(=O)c1cscc1C
InChIInChI=1S/C12H15NOS/c1-4-6-10(5-2)13-12(14)11-8-15-7-9(11)3/h2,7-8,10H,4,6H2,1,3H3,(H,13,14)
InChIKeyRUOCQCYBXSRBKF-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.59
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

2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
CID 103528693
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide
CID 103529059
N-hex-1-yn-3-yl-2-methyl-5-sulfamoylbenzamide
CID 103528408
N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
N-hex-1-yn-3-ylthiadiazole-4-carboxamide
CID 103529036
2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide
CID 106228530
2,4-difluoro-N-hex-1-yn-3-ylbenzamide
CID 103528717
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide (CID 103529071) is N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide is C#CC(CCC)NC(=O)c1cscc1C.
What is the InChIKey of N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide?
The InChIKey is RUOCQCYBXSRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-4-6-10(5-2)13-12(14)11-8-15-7-9(11)3/h2,7-8,10H,4,6H2,1,3H3,(H,13,14).
What are the key properties of N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide?
N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide has a molecular weight of 221.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 103529071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).