N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide

C13H17NOS — CID 103529059

IUPACN-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C13H17NOS/c1-5-7-11(6-2)14-13(15)12-8-9(3)10(4)16-12/h2,8,11H,5,7H2,1,3-4H3,(H,14,15)
InChIKeyQJHGKNLZWXAZKZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.90
Rot. Bonds4

About N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide

N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide (PubChem CID 103529059) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide
PubChem CID103529059
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C13H17NOS/c1-5-7-11(6-2)14-13(15)12-8-9(3)10(4)16-12/h2,8,11H,5,7H2,1,3-4H3,(H,14,15)
InChIKeyQJHGKNLZWXAZKZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.90
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

4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
CID 103529071
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
N-(1-chlorobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 114294744
3-amino-N-hex-1-yn-3-yl-5-methylbenzamide
CID 114160355
N-(4-bromobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 83178836
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
2-amino-N-hex-1-yn-3-yl-6-methylbenzamide
CID 106223431
N-(1-amino-1-sulfanylidenepentan-3-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65239054
N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide (CID 103529059) is N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide is C#CC(CCC)NC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is QJHGKNLZWXAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-5-7-11(6-2)14-13(15)12-8-9(3)10(4)16-12/h2,8,11H,5,7H2,1,3-4H3,(H,14,15).
What are the key properties of N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide?
N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 2.90, 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-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103529059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).