2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide

C7H10N4O3S2 — CID 116787177

IUPAC2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N4O3S2/c1-4(7(8)15)16(13,14)11-5-2-3-6(12)10-9-5/h2-4H,1H3,(H2,8,15)(H,9,11)(H,10,12)
InChIKeyKHFHDVOJUCQRLX-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.81
Rot. Bonds4

About 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide

2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide (PubChem CID 116787177) has the molecular formula C7H10N4O3S2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide
PubChem CID116787177
Molecular FormulaC7H10N4O3S2
Molecular Weight262.32 g/mol
Exact Mass262.02
IUPAC Name2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N4O3S2/c1-4(7(8)15)16(13,14)11-5-2-3-6(12)10-9-5/h2-4H,1H3,(H2,8,15)(H,9,11)(H,10,12)
InChIKeyKHFHDVOJUCQRLX-UHFFFAOYSA-N
XLogP-0.81
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide?
The IUPAC name of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide (CID 116787177) is 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide?
The canonical SMILES for 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide is CC(C(N)=S)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide?
The InChIKey is KHFHDVOJUCQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S2/c1-4(7(8)15)16(13,14)11-5-2-3-6(12)10-9-5/h2-4H,1H3,(H2,8,15)(H,9,11)(H,10,12).
What are the key properties of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide?
2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide has a molecular weight of 262.32 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide is sourced from PubChem (CID 116787177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).