5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide

C11H12N2O2S2 — CID 106269838

IUPAC5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H12N2O2S2/c1-3-5-9(4-2)13-17(14,15)11-7-6-10(8-12)16-11/h2,6-7,9,13H,3,5H2,1H3
InChIKeyAZXUHKLXFONPNG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.70
Rot. Bonds5

About 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide

5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide (PubChem CID 106269838) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
PubChem CID106269838
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H12N2O2S2/c1-3-5-9(4-2)13-17(14,15)11-7-6-10(8-12)16-11/h2,6-7,9,13H,3,5H2,1H3
InChIKeyAZXUHKLXFONPNG-UHFFFAOYSA-N
XLogP1.70
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
CID 114166270
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid
CID 106265822
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
2-chloro-5-cyano-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106898810

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide (CID 106269838) is 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide is C#CC(CCC)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide?
The InChIKey is AZXUHKLXFONPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-3-5-9(4-2)13-17(14,15)11-7-6-10(8-12)16-11/h2,6-7,9,13H,3,5H2,1H3.
What are the key properties of 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide?
5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide has a molecular weight of 268.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106269838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).