5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide

C13H20N4O2S2 — CID 114614625

IUPAC5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C(N)=S)nc2)CCN1C
InChIInChI=1S/C13H20N4O2S2/c1-9-7-10(5-6-17(9)2)16-21(18,19)11-3-4-12(13(14)20)15-8-11/h3-4,8-10,16H,5-7H2,1-2H3,(H2,14,20)
InChIKeyJTARJSLDHPIBGY-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.48
Rot. Bonds4

About 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide

5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614625) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614625
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C(N)=S)nc2)CCN1C
InChIInChI=1S/C13H20N4O2S2/c1-9-7-10(5-6-17(9)2)16-21(18,19)11-3-4-12(13(14)20)15-8-11/h3-4,8-10,16H,5-7H2,1-2H3,(H2,14,20)
InChIKeyJTARJSLDHPIBGY-UHFFFAOYSA-N
XLogP0.48
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.48
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

6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
CID 115650598
5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614412
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614758
N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
N-[1-[(6-carbamothioyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 114614666
5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
5-[(2,2-dimethylcyclohexyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614590
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 114614582
5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614762

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide (CID 114614625) is 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide is CC1CC(NS(=O)(=O)c2ccc(C(N)=S)nc2)CCN1C.
What is the InChIKey of 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is JTARJSLDHPIBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-9-7-10(5-6-17(9)2)16-21(18,19)11-3-4-12(13(14)20)15-8-11/h3-4,8-10,16H,5-7H2,1-2H3,(H2,14,20).
What are the key properties of 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 328.46 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).