5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide

C13H19N3O2S2 — CID 114614470

IUPAC5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H19N3O2S2/c1-16(9-10-4-2-3-5-10)20(17,18)11-6-7-12(13(14)19)15-8-11/h6-8,10H,2-5,9H2,1H3,(H2,14,19)
InChIKeySACRBUBWFBEJLZ-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.53
Rot. Bonds5

About 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide

5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614470) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614470
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C13H19N3O2S2/c1-16(9-10-4-2-3-5-10)20(17,18)11-6-7-12(13(14)19)15-8-11/h6-8,10H,2-5,9H2,1H3,(H2,14,19)
InChIKeySACRBUBWFBEJLZ-UHFFFAOYSA-N
XLogP1.53
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614500
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449
5-[methyl(pentan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614174
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
5-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-2-carbothioamide
CID 114614521

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide (CID 114614470) is 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide is CN(CC1CCCC1)S(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is SACRBUBWFBEJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-16(9-10-4-2-3-5-10)20(17,18)11-6-7-12(13(14)19)15-8-11/h6-8,10H,2-5,9H2,1H3,(H2,14,19).
What are the key properties of 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 313.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).