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

C9H14N2O3S3 — CID 114166607

IUPAC5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C9H14N2O3S3/c1-11(5-6-14-2)17(12,13)8-4-3-7(16-8)9(10)15/h3-4H,5-6H2,1-2H3,(H2,10,15)
InChIKeyUTQYUKJBLANVMO-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.65
Rot. Bonds6

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

5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 114166607) has the molecular formula C9H14N2O3S3 and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID114166607
Molecular FormulaC9H14N2O3S3
Molecular Weight294.42 g/mol
Exact Mass294.02
IUPAC Name5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C9H14N2O3S3/c1-11(5-6-14-2)17(12,13)8-4-3-7(16-8)9(10)15/h3-4H,5-6H2,1-2H3,(H2,10,15)
InChIKeyUTQYUKJBLANVMO-UHFFFAOYSA-N
XLogP0.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 106270760
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
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
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide (CID 114166607) is 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide is COCCN(C)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is UTQYUKJBLANVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S3/c1-11(5-6-14-2)17(12,13)8-4-3-7(16-8)9(10)15/h3-4H,5-6H2,1-2H3,(H2,10,15).
What are the key properties of 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide?
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 294.42 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 114166607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).