5-(dimethylsulfamoyl)pyridine-2-carbothioamide

C8H11N3O2S2 — CID 114614067

IUPAC5-(dimethylsulfamoyl)pyridine-2-carbothioamide
SMILESCN(C)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C8H11N3O2S2/c1-11(2)15(12,13)6-3-4-7(8(9)14)10-5-6/h3-5H,1-2H3,(H2,9,14)
InChIKeyKUZSMAWQLAWAQA-UHFFFAOYSA-N
MW245.33 g/mol
LogP-0.03
Rot. Bonds3

About 5-(dimethylsulfamoyl)pyridine-2-carbothioamide

5-(dimethylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 114614067) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)pyridine-2-carbothioamide
PubChem CID114614067
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC Name5-(dimethylsulfamoyl)pyridine-2-carbothioamide
SMILESCN(C)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C8H11N3O2S2/c1-11(2)15(12,13)6-3-4-7(8(9)14)10-5-6/h3-5H,1-2H3,(H2,9,14)
InChIKeyKUZSMAWQLAWAQA-UHFFFAOYSA-N
XLogP-0.03
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-0.03
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

5-[methyl-(4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614394
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
5-[methyl(pentan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614174
5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614213
5-[propan-2-yl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614117
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614500
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614340
sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate
CID 157495635
5-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-2-carbothioamide
CID 114614521
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 5-(dimethylsulfamoyl)pyridine-2-carbothioamide (CID 114614067) is 5-(dimethylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 5-(dimethylsulfamoyl)pyridine-2-carbothioamide is CN(C)S(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-(dimethylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is KUZSMAWQLAWAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c1-11(2)15(12,13)6-3-4-7(8(9)14)10-5-6/h3-5H,1-2H3,(H2,9,14).
What are the key properties of 5-(dimethylsulfamoyl)pyridine-2-carbothioamide?
5-(dimethylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 245.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 114614067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).