5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide

C11H16BrNO2S2 — CID 115690387

IUPAC5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(Br)sc2C)CCC1
InChIInChI=1S/C11H16BrNO2S2/c1-3-11(5-4-6-11)13-17(14,15)9-7-10(12)16-8(9)2/h7,13H,3-6H2,1-2H3
InChIKeyASBBUVULAQTZIH-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide (PubChem CID 115690387) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
PubChem CID115690387
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(Br)sc2C)CCC1
InChIInChI=1S/C11H16BrNO2S2/c1-3-11(5-4-6-11)13-17(14,15)9-7-10(12)16-8(9)2/h7,13H,3-6H2,1-2H3
InChIKeyASBBUVULAQTZIH-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
CID 115690365
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 113295045
2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365761
5-bromo-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
CID 107868332
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 107165046
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-2-methylthiophene-3-sulfonamide
CID 106255936
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119981138

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide (CID 115690387) is 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide is CCC1(NS(=O)(=O)c2cc(Br)sc2C)CCC1.
What is the InChIKey of 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is ASBBUVULAQTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-3-11(5-4-6-11)13-17(14,15)9-7-10(12)16-8(9)2/h7,13H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115690387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).