5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide

C10H13F3N2O2S3 — CID 106270865

IUPAC5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H13F3N2O2S3/c1-2-5-15(6-10(11,12)13)20(16,17)8-4-3-7(19-8)9(14)18/h3-4H,2,5-6H2,1H3,(H2,14,18)
InChIKeyXZTAHOFYKITRCH-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.35
Rot. Bonds6

About 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide

5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270865) has the molecular formula C10H13F3N2O2S3 and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270865
Molecular FormulaC10H13F3N2O2S3
Molecular Weight346.42 g/mol
Exact Mass346.01
IUPAC Name5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H13F3N2O2S3/c1-2-5-15(6-10(11,12)13)20(16,17)8-4-3-7(19-8)9(14)18/h3-4H,2,5-6H2,1H3,(H2,14,18)
InChIKeyXZTAHOFYKITRCH-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907426
4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
CID 51098722
5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270925
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368

Frequently Asked Questions

What is the IUPAC name of 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270865) is 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide is CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is XZTAHOFYKITRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S3/c1-2-5-15(6-10(11,12)13)20(16,17)8-4-3-7(19-8)9(14)18/h3-4H,2,5-6H2,1H3,(H2,14,18).
What are the key properties of 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide?
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 346.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).