2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide

C9H13N3O2S2 — CID 79043469

IUPAC2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide
SMILESCc1ncccc1NS(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C9H13N3O2S2/c1-6-8(4-3-5-11-6)12-16(13,14)7(2)9(10)15/h3-5,7,12H,1-2H3,(H2,10,15)
InChIKeyJQMTXAVOPSLQJP-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.81
Rot. Bonds4

About 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide

2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide (PubChem CID 79043469) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide
PubChem CID79043469
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC Name2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide
SMILESCc1ncccc1NS(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C9H13N3O2S2/c1-6-8(4-3-5-11-6)12-16(13,14)7(2)9(10)15/h3-5,7,12H,1-2H3,(H2,10,15)
InChIKeyJQMTXAVOPSLQJP-UHFFFAOYSA-N
XLogP0.81
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.81
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

3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
3-[(2-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107642035
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
CID 79043510
4-chloro-3-[(2-methyl-3-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 80695700
3-amino-2-benzyl-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79042897
3-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596464
2,3-difluoro-4-[(2-methyl-3-pyridinyl)amino]benzenecarbothioamide
CID 107935087
3-[(2-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide
CID 79043986
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 115922122
3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
3-(1-cyanoethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740574

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide (CID 79043469) is 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide is Cc1ncccc1NS(=O)(=O)C(C)C(N)=S.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide?
The InChIKey is JQMTXAVOPSLQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-6-8(4-3-5-11-6)12-16(13,14)7(2)9(10)15/h3-5,7,12H,1-2H3,(H2,10,15).
What are the key properties of 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide?
2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide has a molecular weight of 259.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)sulfamoyl]propanethioamide is sourced from PubChem (CID 79043469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).