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

C10H16BrNO2S3 — CID 115690352

IUPAC5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H16BrNO2S3/c1-7(15-3)4-5-12-17(13,14)9-6-10(11)16-8(9)2/h6-7,12H,4-5H2,1-3H3
InChIKeyGZUFRRMCPXIOGV-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.24
Rot. Bonds6

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

5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide (PubChem CID 115690352) has the molecular formula C10H16BrNO2S3 and a molecular weight of 358.35 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
PubChem CID115690352
Molecular FormulaC10H16BrNO2S3
Molecular Weight358.35 g/mol
Exact Mass356.95
IUPAC Name5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H16BrNO2S3/c1-7(15-3)4-5-12-17(13,14)9-6-10(11)16-8(9)2/h6-7,12H,4-5H2,1-3H3
InChIKeyGZUFRRMCPXIOGV-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082311
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 115690382
2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 113494155
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide (CID 115690352) is 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide is CSC(C)CCNS(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide?
The InChIKey is GZUFRRMCPXIOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S3/c1-7(15-3)4-5-12-17(13,14)9-6-10(11)16-8(9)2/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide has a molecular weight of 358.35 g/mol, XLogP of 3.24, 6 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-(3-methylsulfanylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 115690352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).