5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide

C11H12N2O2S4 — CID 106270368

IUPAC5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H12N2O2S4/c1-13(7-8-3-2-6-17-8)19(14,15)10-5-4-9(18-10)11(12)16/h2-6H,7H2,1H3,(H2,12,16)
InChIKeyBVLSVVCAGWOLBD-UHFFFAOYSA-N
MW332.50 g/mol
LogP2.26
Rot. Bonds5

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

5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270368) has the molecular formula C11H12N2O2S4 and a molecular weight of 332.50 g/mol. Its IUPAC name is 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270368
Molecular FormulaC11H12N2O2S4
Molecular Weight332.50 g/mol
Exact Mass331.98
IUPAC Name5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H12N2O2S4/c1-13(7-8-3-2-6-17-8)19(14,15)10-5-4-9(18-10)11(12)16/h2-6H,7H2,1H3,(H2,12,16)
InChIKeyBVLSVVCAGWOLBD-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 52.26
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-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 106267326
5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
CID 106270297
3-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596615
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270447
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 106270760

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270368) is 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide is CN(Cc1cccs1)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is BVLSVVCAGWOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S4/c1-13(7-8-3-2-6-17-8)19(14,15)10-5-4-9(18-10)11(12)16/h2-6H,7H2,1H3,(H2,12,16).
What are the key properties of 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide?
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 332.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).