5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

C10H16BrNO2S3 — CID 112551413

IUPAC5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO2S3/c1-4-8(7-15-3)12(2)17(13,14)10-6-5-9(11)16-10/h5-6,8H,4,7H2,1-3H3
InChIKeyGJBUYYZLKURLJF-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.27
Rot. Bonds6

About 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 112551413) has the molecular formula C10H16BrNO2S3 and a molecular weight of 358.35 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID112551413
Molecular FormulaC10H16BrNO2S3
Molecular Weight358.35 g/mol
Exact Mass356.95
IUPAC Name5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO2S3/c1-4-8(7-15-3)12(2)17(13,14)10-6-5-9(11)16-10/h5-6,8H,4,7H2,1-3H3
InChIKeyGJBUYYZLKURLJF-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112666962
5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 115988529
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441
4-amino-2,6-dibromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115985226
3-bromo-4-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115897747
4-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115986116
5-amino-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656623
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656640
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
CID 112664023
5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 54937883

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (CID 112551413) is 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is GJBUYYZLKURLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S3/c1-4-8(7-15-3)12(2)17(13,14)10-6-5-9(11)16-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 358.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 112551413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).