5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide

C13H19N3O2S2 — CID 107418739

IUPAC5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H19N3O2S2/c1-9-3-2-4-10(9)7-16-20(17,18)11-5-6-12(13(14)19)15-8-11/h5-6,8-10,16H,2-4,7H2,1H3,(H2,14,19)
InChIKeyRSBNCWHRLDJTLS-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.43
Rot. Bonds5

About 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide

5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide (PubChem CID 107418739) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
PubChem CID107418739
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H19N3O2S2/c1-9-3-2-4-10(9)7-16-20(17,18)11-5-6-12(13(14)19)15-8-11/h5-6,8-10,16H,2-4,7H2,1H3,(H2,14,19)
InChIKeyRSBNCWHRLDJTLS-UHFFFAOYSA-N
XLogP1.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449
6-cyano-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107418699
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]pyrimidine-5-sulfonamide
CID 107420494
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614412
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203
N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614758
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide (CID 107418739) is 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide is CC1CCCC1CNS(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide?
The InChIKey is RSBNCWHRLDJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-9-3-2-4-10(9)7-16-20(17,18)11-5-6-12(13(14)19)15-8-11/h5-6,8-10,16H,2-4,7H2,1H3,(H2,14,19).
What are the key properties of 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide?
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide has a molecular weight of 313.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 107418739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).