3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide

C11H10ClN3O2S3 — CID 106597414

IUPAC3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H10ClN3O2S3/c12-9-4-3-7(19-9)6-15-20(16,17)8-2-1-5-14-10(8)11(13)18/h1-5,15H,6H2,(H2,13,18)
InChIKeyRHGVRDJUVOPOJL-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.91
Rot. Bonds5

About 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide

3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597414) has the molecular formula C11H10ClN3O2S3 and a molecular weight of 347.87 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
PubChem CID106597414
Molecular FormulaC11H10ClN3O2S3
Molecular Weight347.87 g/mol
Exact Mass346.96
IUPAC Name3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H10ClN3O2S3/c12-9-4-3-7(19-9)6-15-20(16,17)8-2-1-5-14-10(8)11(13)18/h1-5,15H,6H2,(H2,13,18)
InChIKeyRHGVRDJUVOPOJL-UHFFFAOYSA-N
XLogP1.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.91
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-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106596914
3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597314
4-chloro-3-[(5-chlorothiophen-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80695861
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597308
3-[(3-ethylthiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597606
3-[(2-ethoxy-2-methylpropyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597973
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 106597853
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364
3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106597230

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide (CID 106597414) is 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The InChIKey is RHGVRDJUVOPOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S3/c12-9-4-3-7(19-9)6-15-20(16,17)8-2-1-5-14-10(8)11(13)18/h1-5,15H,6H2,(H2,13,18).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide?
3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide has a molecular weight of 347.87 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).