N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide

C11H15NO2S2 — CID 106898897

IUPACN-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C11H15NO2S2/c1-4-6-10(5-2)12-16(13,14)11-8-7-9(3)15-11/h2,7-8,10,12H,4,6H2,1,3H3
InChIKeyUEMAGDGCCMPKAO-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.14
Rot. Bonds5

About N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide

N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide (PubChem CID 106898897) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
PubChem CID106898897
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC NameN-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C11H15NO2S2/c1-4-6-10(5-2)12-16(13,14)11-8-7-9(3)15-11/h2,7-8,10,12H,4,6H2,1,3H3
InChIKeyUEMAGDGCCMPKAO-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
CID 106269838
N-hex-5-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 115650486
N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
CID 114298402
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
N-[(2S)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238647
N-[(2R)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238648
3-amino-N-hex-1-yn-3-yl-4-methylbenzenesulfonamide
CID 114160419
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide
CID 55365027
N-hex-1-yn-3-ylmethanesulfonamide
CID 106898819
3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
CID 55101734
N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide
CID 106898784

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide (CID 106898897) is N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide is C#CC(CCC)NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide?
The InChIKey is UEMAGDGCCMPKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-4-6-10(5-2)12-16(13,14)11-8-7-9(3)15-11/h2,7-8,10,12H,4,6H2,1,3H3.
What are the key properties of N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide?
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide has a molecular weight of 257.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106898897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).