3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide

C14H15N3O2S2 — CID 106597154

IUPAC3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C14H15N3O2S2/c1-10-6-3-4-7-11(10)17(2)21(18,19)12-8-5-9-16-13(12)14(15)20/h3-9H,1-2H3,(H2,15,20)
InChIKeyIGYWUILKHXGKHM-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.85
Rot. Bonds4

About 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide

3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597154) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106597154
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C14H15N3O2S2/c1-10-6-3-4-7-11(10)17(2)21(18,19)12-8-5-9-16-13(12)14(15)20/h3-9H,1-2H3,(H2,15,20)
InChIKeyIGYWUILKHXGKHM-UHFFFAOYSA-N
XLogP1.85
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.85
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

3-[(3-fluorophenyl)-methylsulfamoyl]pyridine-2-carbothioamide
CID 106597161
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114230219
3-(dibutylsulfamoyl)pyridine-2-carbothioamide
CID 106596522
3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596341
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461
4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
CID 62002029
3-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596615
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide (CID 106597154) is 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide is Cc1ccccc1N(C)S(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is IGYWUILKHXGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-10-6-3-4-7-11(10)17(2)21(18,19)12-8-5-9-16-13(12)14(15)20/h3-9H,1-2H3,(H2,15,20).
What are the key properties of 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide?
3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 321.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).