5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide

C10H10N2O2S4 — CID 106270297

IUPAC5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C10H10N2O2S4/c11-10(15)8-3-4-9(17-8)18(13,14)12-6-7-2-1-5-16-7/h1-5,12H,6H2,(H2,11,15)
InChIKeyDAFQZIOEXHOQTM-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.92
Rot. Bonds5

About 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide

5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide (PubChem CID 106270297) has the molecular formula C10H10N2O2S4 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
PubChem CID106270297
Molecular FormulaC10H10N2O2S4
Molecular Weight318.47 g/mol
Exact Mass317.96
IUPAC Name5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C10H10N2O2S4/c11-10(15)8-3-4-9(17-8)18(13,14)12-6-7-2-1-5-16-7/h1-5,12H,6H2,(H2,11,15)
InChIKeyDAFQZIOEXHOQTM-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 43520972
5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270100
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368
5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270937
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide?
The IUPAC name of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide (CID 106270297) is 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide.
What is the SMILES notation for 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide?
The canonical SMILES for 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)NCc2cccs2)s1.
What is the InChIKey of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide?
The InChIKey is DAFQZIOEXHOQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S4/c11-10(15)8-3-4-9(17-8)18(13,14)12-6-7-2-1-5-16-7/h1-5,12H,6H2,(H2,11,15).
What are the key properties of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide?
5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide has a molecular weight of 318.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide is sourced from PubChem (CID 106270297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).