5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide

C11H14N4O2S3 — CID 106270609

IUPAC5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H14N4O2S3/c1-8(7-15-6-2-5-13-15)14-20(16,17)10-4-3-9(19-10)11(12)18/h2-6,8,14H,7H2,1H3,(H2,12,18)
InChIKeySGJXPUFTIZRIPW-UHFFFAOYSA-N
MW330.46 g/mol
LogP0.95
Rot. Bonds6

About 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide

5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide (PubChem CID 106270609) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
PubChem CID106270609
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC Name5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H14N4O2S3/c1-8(7-15-6-2-5-13-15)14-20(16,17)10-4-3-9(19-10)11(12)18/h2-6,8,14H,7H2,1H3,(H2,12,18)
InChIKeySGJXPUFTIZRIPW-UHFFFAOYSA-N
XLogP0.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 61461194
2-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945800
2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839
5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328643
5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106271860
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900
3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94162195

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide?
The IUPAC name of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide (CID 106270609) is 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide.
What is the SMILES notation for 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide?
The canonical SMILES for 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide is CC(Cn1cccn1)NS(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide?
The InChIKey is SGJXPUFTIZRIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c1-8(7-15-6-2-5-13-15)14-20(16,17)10-4-3-9(19-10)11(12)18/h2-6,8,14H,7H2,1H3,(H2,12,18).
What are the key properties of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide?
5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide has a molecular weight of 330.46 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide is sourced from PubChem (CID 106270609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).