3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide

C13H20N4O2S2 — CID 106596341

IUPAC3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccnc2C(N)=S)CC1
InChIInChI=1S/C13H20N4O2S2/c1-16-8-5-10(6-9-16)17(2)21(18,19)11-4-3-7-15-12(11)13(14)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,14,20)
InChIKeyPMBONIONQJDRRZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.43
Rot. Bonds4

About 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide

3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106596341) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106596341
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccnc2C(N)=S)CC1
InChIInChI=1S/C13H20N4O2S2/c1-16-8-5-10(6-9-16)17(2)21(18,19)11-4-3-7-15-12(11)13(14)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,14,20)
InChIKeyPMBONIONQJDRRZ-UHFFFAOYSA-N
XLogP0.43
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596563
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
3-hydrazinyl-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103300879
3-[(1-methylpiperidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596742
N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57398675
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
3-[methyl(oxan-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597356
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide (CID 106596341) is 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide is CN1CCC(N(C)S(=O)(=O)c2cccnc2C(N)=S)CC1.
What is the InChIKey of 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is PMBONIONQJDRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-16-8-5-10(6-9-16)17(2)21(18,19)11-4-3-7-15-12(11)13(14)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,14,20).
What are the key properties of 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide?
3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 328.46 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106596341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).