5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide

C10H16N2O2S4 — CID 106271839

IUPAC5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
SMILESCCC(CSC)NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H16N2O2S4/c1-3-7(6-16-2)12-18(13,14)9-5-4-8(17-9)10(11)15/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyGDXFGYXKHQNAMP-UHFFFAOYSA-N
MW324.52 g/mol
LogP1.80
Rot. Bonds7

About 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide

5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide (PubChem CID 106271839) has the molecular formula C10H16N2O2S4 and a molecular weight of 324.52 g/mol. Its IUPAC name is 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
PubChem CID106271839
Molecular FormulaC10H16N2O2S4
Molecular Weight324.52 g/mol
Exact Mass324.01
IUPAC Name5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
SMILESCCC(CSC)NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H16N2O2S4/c1-3-7(6-16-2)12-18(13,14)9-5-4-8(17-9)10(11)15/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyGDXFGYXKHQNAMP-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
CID 55101734
5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 106083800
5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
CID 114166702
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270609
5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272138
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106271860
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272096
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106388542

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide?
The IUPAC name of 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide (CID 106271839) is 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide.
What is the SMILES notation for 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide?
The canonical SMILES for 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide is CCC(CSC)NS(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide?
The InChIKey is GDXFGYXKHQNAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S4/c1-3-7(6-16-2)12-18(13,14)9-5-4-8(17-9)10(11)15/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15).
What are the key properties of 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide?
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide has a molecular weight of 324.52 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide is sourced from PubChem (CID 106271839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).