5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide

C9H14N2O4S4 — CID 106271507

IUPAC5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C9H14N2O4S4/c1-11(5-6-18(2,12)13)19(14,15)8-4-3-7(17-8)9(10)16/h3-4H,5-6H2,1-2H3,(H2,10,16)
InChIKeyFFVOPMOHFKCRHG-UHFFFAOYSA-N
MW342.49 g/mol
LogP0.05
Rot. Bonds6

About 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide

5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271507) has the molecular formula C9H14N2O4S4 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106271507
Molecular FormulaC9H14N2O4S4
Molecular Weight342.49 g/mol
Exact Mass341.98
IUPAC Name5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C9H14N2O4S4/c1-11(5-6-18(2,12)13)19(14,15)8-4-3-7(17-8)9(10)16/h3-4H,5-6H2,1-2H3,(H2,10,16)
InChIKeyFFVOPMOHFKCRHG-UHFFFAOYSA-N
XLogP0.05
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270865
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
2-[methyl(2-methylsulfonylethyl)sulfamoyl]benzenecarbothioamide
CID 79858546
2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 106270760
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide (CID 106271507) is 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is FFVOPMOHFKCRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S4/c1-11(5-6-18(2,12)13)19(14,15)8-4-3-7(17-8)9(10)16/h3-4H,5-6H2,1-2H3,(H2,10,16).
What are the key properties of 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide?
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 342.49 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).