5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide

C11H16BrNO2S3 — CID 103739668

IUPAC5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H16BrNO2S3/c1-7-6-10(17-11(7)12)18(14,15)13-8-4-3-5-9(8)16-2/h6,8-9,13H,3-5H2,1-2H3
InChIKeyNIUONEOUSNXVSO-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.38
Rot. Bonds4

About 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide (PubChem CID 103739668) has the molecular formula C11H16BrNO2S3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
PubChem CID103739668
Molecular FormulaC11H16BrNO2S3
Molecular Weight370.36 g/mol
Exact Mass368.95
IUPAC Name5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H16BrNO2S3/c1-7-6-10(17-11(7)12)18(14,15)13-8-4-3-5-9(8)16-2/h6,8-9,13H,3-5H2,1-2H3
InChIKeyNIUONEOUSNXVSO-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-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988314
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173
5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
CID 113347709
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide (CID 103739668) is 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide is CSC1CCCC1NS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide?
The InChIKey is NIUONEOUSNXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S3/c1-7-6-10(17-11(7)12)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-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-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-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103739668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).