5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide

C13H20N4O2S2 — CID 114614758

IUPAC5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H20N4O2S2/c1-9-8-17(2)6-5-11(9)16-21(18,19)10-3-4-12(13(14)20)15-7-10/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,14,20)
InChIKeyBZIQKQKNJUXCTI-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.33
Rot. Bonds4

About 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide

5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614758) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614758
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H20N4O2S2/c1-9-8-17(2)6-5-11(9)16-21(18,19)10-3-4-12(13(14)20)15-7-10/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,14,20)
InChIKeyBZIQKQKNJUXCTI-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
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-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614412
5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614625
4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503351
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 114504913
5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449
4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 106919626
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503347
5-[(2,2-dimethylcyclohexyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614590
5-(3-ethylpyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614680
N-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908
5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614762

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide (CID 114614758) is 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide is CC1CN(C)CCC1NS(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is BZIQKQKNJUXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-9-8-17(2)6-5-11(9)16-21(18,19)10-3-4-12(13(14)20)15-7-10/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,14,20).
What are the key properties of 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 328.46 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).