5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide

C11H13N5O2S2 — CID 114614500

IUPAC5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C11H13N5O2S2/c1-16(7-8-4-14-15-5-8)20(17,18)9-2-3-10(11(12)19)13-6-9/h2-6H,7H2,1H3,(H2,12,19)(H,14,15)
InChIKeyGHIZPPXQKNNMSQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.26
Rot. Bonds5

About 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide

5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614500) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614500
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC Name5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C11H13N5O2S2/c1-16(7-8-4-14-15-5-8)20(17,18)9-2-3-10(11(12)19)13-6-9/h2-6H,7H2,1H3,(H2,12,19)(H,14,15)
InChIKeyGHIZPPXQKNNMSQ-UHFFFAOYSA-N
XLogP0.26
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.26
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

5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
5-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-2-carbothioamide
CID 114614521
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
5-[methyl(pentan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614174
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614213
5-[methyl-(4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614394
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614340
5-[propan-2-yl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614117
3-fluoro-N-methyl-4-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 82847144
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54934032

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide (CID 114614500) is 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide is CN(Cc1cn[nH]c1)S(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is GHIZPPXQKNNMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-16(7-8-4-14-15-5-8)20(17,18)9-2-3-10(11(12)19)13-6-9/h2-6H,7H2,1H3,(H2,12,19)(H,14,15).
What are the key properties of 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide?
5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 311.39 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).