3-(ethylsulfamoyl)pyridine-2-carbothioamide

C8H11N3O2S2 — CID 106596293

IUPAC3-(ethylsulfamoyl)pyridine-2-carbothioamide
SMILESCCNS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C8H11N3O2S2/c1-2-11-15(12,13)6-4-3-5-10-7(6)8(9)14/h3-5,11H,2H2,1H3,(H2,9,14)
InChIKeyWGAWHUKKNNAZRS-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.01
Rot. Bonds4

About 3-(ethylsulfamoyl)pyridine-2-carbothioamide

3-(ethylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106596293) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106596293
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC Name3-(ethylsulfamoyl)pyridine-2-carbothioamide
SMILESCCNS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C8H11N3O2S2/c1-2-11-15(12,13)6-4-3-5-10-7(6)8(9)14/h3-5,11H,2H2,1H3,(H2,9,14)
InChIKeyWGAWHUKKNNAZRS-UHFFFAOYSA-N
XLogP0.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-ethoxy-2-methylpropyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597973
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
ethyl 3-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]propanoate
CID 106597141
3-[(3-ethylthiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597606
3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597314
3-(2,4,4-trimethylpentan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597062
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597308
3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106597836
3-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596464
3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597414
3-[2-(1-methylimidazol-2-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597127
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106596914

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(ethylsulfamoyl)pyridine-2-carbothioamide (CID 106596293) is 3-(ethylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(ethylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(ethylsulfamoyl)pyridine-2-carbothioamide is CCNS(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-(ethylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is WGAWHUKKNNAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c1-2-11-15(12,13)6-4-3-5-10-7(6)8(9)14/h3-5,11H,2H2,1H3,(H2,9,14).
What are the key properties of 3-(ethylsulfamoyl)pyridine-2-carbothioamide?
3-(ethylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 245.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106596293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).