5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide

C11H16BrNO2S3 — CID 103748807

IUPAC5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C11H16BrNO2S3/c1-7-10(6-11(12)17-7)18(14,15)13-8-4-3-5-9(8)16-2/h6,8-9,13H,3-5H2,1-2H3
InChIKeyQEUVEAAIFJTOLY-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.38
Rot. Bonds4

About 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide (PubChem CID 103748807) has the molecular formula C11H16BrNO2S3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
PubChem CID103748807
Molecular FormulaC11H16BrNO2S3
Molecular Weight370.36 g/mol
Exact Mass368.95
IUPAC Name5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C11H16BrNO2S3/c1-7-10(6-11(12)17-7)18(14,15)13-8-4-3-5-9(8)16-2/h6,8-9,13H,3-5H2,1-2H3
InChIKeyQEUVEAAIFJTOLY-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091811
2-amino-5-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 103823754
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
CID 104600176
5-(aminomethyl)-2-methyl-N-(2-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106091691
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide
CID 94415069
N-(2-aminocyclopentyl)-2,5-dibromothiophene-3-sulfonamide
CID 63251942
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide (CID 103748807) is 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide is CSC1CCCC1NS(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The InChIKey is QEUVEAAIFJTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S3/c1-7-10(6-11(12)17-7)18(14,15)13-8-4-3-5-9(8)16-2/h6,8-9,13H,3-5H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide has a molecular weight of 370.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 103748807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).