5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid

C10H15NO4S3 — CID 104654871

IUPAC5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESCSCCC(C)NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H15NO4S3/c1-7(3-4-16-2)11-18(14,15)9-5-8(6-17-9)10(12)13/h5-7,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyTXZNGBRNPNRRPF-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.87
Rot. Bonds7

About 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid

5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 104654871) has the molecular formula C10H15NO4S3 and a molecular weight of 309.43 g/mol. Its IUPAC name is 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID104654871
Molecular FormulaC10H15NO4S3
Molecular Weight309.43 g/mol
Exact Mass309.02
IUPAC Name5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESCSCCC(C)NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H15NO4S3/c1-7(3-4-16-2)11-18(14,15)9-5-8(6-17-9)10(12)13/h5-7,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyTXZNGBRNPNRRPF-UHFFFAOYSA-N
XLogP1.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 114142109
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 43498976
5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
5-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106080295
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid (CID 104654871) is 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid is CSCCC(C)NS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is TXZNGBRNPNRRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S3/c1-7(3-4-16-2)11-18(14,15)9-5-8(6-17-9)10(12)13/h5-7,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 309.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 104654871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).