1,2,5-thiadiazol-3-ylmethanesulfonamide

C3H5N3O2S2 — CID 131223688

IUPAC1,2,5-thiadiazol-3-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cnsn1
InChIInChI=1S/C3H5N3O2S2/c4-10(7,8)2-3-1-5-9-6-3/h1H,2H2,(H2,4,7,8)
InChIKeyXEFLHTQLMLJQCA-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.67
Rot. Bonds2

About 1,2,5-thiadiazol-3-ylmethanesulfonamide

1,2,5-thiadiazol-3-ylmethanesulfonamide (PubChem CID 131223688) has the molecular formula C3H5N3O2S2 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1,2,5-thiadiazol-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,2,5-thiadiazol-3-ylmethanesulfonamide
PubChem CID131223688
Molecular FormulaC3H5N3O2S2
Molecular Weight179.23 g/mol
Exact Mass178.98
IUPAC Name1,2,5-thiadiazol-3-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cnsn1
InChIInChI=1S/C3H5N3O2S2/c4-10(7,8)2-3-1-5-9-6-3/h1H,2H2,(H2,4,7,8)
InChIKeyXEFLHTQLMLJQCA-UHFFFAOYSA-N
XLogP-0.67
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-thiadiazol-3-ylmethanesulfonamide?
The IUPAC name of 1,2,5-thiadiazol-3-ylmethanesulfonamide (CID 131223688) is 1,2,5-thiadiazol-3-ylmethanesulfonamide.
What is the SMILES notation for 1,2,5-thiadiazol-3-ylmethanesulfonamide?
The canonical SMILES for 1,2,5-thiadiazol-3-ylmethanesulfonamide is NS(=O)(=O)Cc1cnsn1.
What is the InChIKey of 1,2,5-thiadiazol-3-ylmethanesulfonamide?
The InChIKey is XEFLHTQLMLJQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2S2/c4-10(7,8)2-3-1-5-9-6-3/h1H,2H2,(H2,4,7,8).
What are the key properties of 1,2,5-thiadiazol-3-ylmethanesulfonamide?
1,2,5-thiadiazol-3-ylmethanesulfonamide has a molecular weight of 179.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-thiadiazol-3-ylmethanesulfonamide is sourced from PubChem (CID 131223688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).