N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide

C11H16N2O2S2 — CID 54947421

IUPACN-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C11H16N2O2S2/c1-3-5-9(8-12)13-17(14,15)11-7-6-10(4-2)16-11/h6-7,9,13H,3-5H2,1-2H3
InChIKeyZVMJDJLFOQBEBF-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.28
Rot. Bonds6

About N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide

N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 54947421) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide
PubChem CID54947421
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C11H16N2O2S2/c1-3-5-9(8-12)13-17(14,15)11-7-6-10(4-2)16-11/h6-7,9,13H,3-5H2,1-2H3
InChIKeyZVMJDJLFOQBEBF-UHFFFAOYSA-N
XLogP2.28
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide (CID 54947421) is N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide is CCCC(C#N)NS(=O)(=O)c1ccc(CC)s1.
What is the InChIKey of N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is ZVMJDJLFOQBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-3-5-9(8-12)13-17(14,15)11-7-6-10(4-2)16-11/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide?
N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 272.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 54947421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).