3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide

C11H10N4O2S2 — CID 106596301

IUPAC3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C11H10N4O2S2/c12-11(18)10-9(4-2-6-14-10)19(16,17)15-8-3-1-5-13-7-8/h1-7,15H,(H2,12,18)
InChIKeyKJVKDNQRVVCMQB-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.91
Rot. Bonds4

About 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide

3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106596301) has the molecular formula C11H10N4O2S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106596301
Molecular FormulaC11H10N4O2S2
Molecular Weight294.36 g/mol
Exact Mass294.02
IUPAC Name3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C11H10N4O2S2/c12-11(18)10-9(4-2-6-14-10)19(16,17)15-8-3-1-5-13-7-8/h1-7,15H,(H2,12,18)
InChIKeyKJVKDNQRVVCMQB-UHFFFAOYSA-N
XLogP0.91
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(phenylsulfamoyl)pyridine-2-carbothioamide
CID 106596278
3-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596336
3-[(2,6-dibromophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107600488
3-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596464
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(2-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107642035
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
3-[(2,5-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596322
3-[(4-bromo-2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596318
3-(3,3-dimethylbutan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597826
3-[(2-bromo-4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596311
3-[(4-chloro-2-iodophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107626085

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide (CID 106596301) is 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is KJVKDNQRVVCMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S2/c12-11(18)10-9(4-2-6-14-10)19(16,17)15-8-3-1-5-13-7-8/h1-7,15H,(H2,12,18).
What are the key properties of 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide?
3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 294.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106596301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).