5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

C11H18BrNO2S3 — CID 112551441

IUPAC5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H18BrNO2S3/c1-5-9(7-16-4)13(3)18(14,15)10-6-8(2)11(12)17-10/h6,9H,5,7H2,1-4H3
InChIKeyKOTPSSFLZFMDQL-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.58
Rot. Bonds6

About 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 112551441) has the molecular formula C11H18BrNO2S3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID112551441
Molecular FormulaC11H18BrNO2S3
Molecular Weight372.38 g/mol
Exact Mass370.97
IUPAC Name5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H18BrNO2S3/c1-5-9(7-16-4)13(3)18(14,15)10-6-8(2)11(12)17-10/h6,9H,5,7H2,1-4H3
InChIKeyKOTPSSFLZFMDQL-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551413
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
5-amino-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656623
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112666962
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
4-amino-2,6-dibromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115985226
5-amino-4-chloro-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115985199
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656640
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 79995043
5-amino-4-bromo-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 114625158
5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 115988529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (CID 112551441) is 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is KOTPSSFLZFMDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2S3/c1-5-9(7-16-4)13(3)18(14,15)10-6-8(2)11(12)17-10/h6,9H,5,7H2,1-4H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 372.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 112551441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).