sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide

C5H8N4NaO3S2+ — CID 54725518

IUPACsodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.[Na+]
InChIInChI=1S/C5H8N4O3S2.Na/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);/q;+1/b7-4-;
InChIKeyLWXLIFWUHFCXFZ-ZULQGGHCSA-N
MW259.27 g/mol
LogP-4.42
Rot. Bonds1

About sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide

sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide (PubChem CID 54725518) has the molecular formula C5H8N4NaO3S2+ and a molecular weight of 259.27 g/mol. Its IUPAC name is sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide.

Molecular Properties

Compound Namesodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
PubChem CID54725518
Molecular FormulaC5H8N4NaO3S2+
Molecular Weight259.27 g/mol
Exact Mass258.99
IUPAC Namesodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.[Na+]
InChIInChI=1S/C5H8N4O3S2.Na/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);/q;+1/b7-4-;
InChIKeyLWXLIFWUHFCXFZ-ZULQGGHCSA-N
XLogP-4.42
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-4.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide?
The IUPAC name of sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide (CID 54725518) is sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide.
What is the SMILES notation for sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide?
The canonical SMILES for sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide is CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.[Na+].
What is the InChIKey of sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide?
The InChIKey is LWXLIFWUHFCXFZ-ZULQGGHCSA-N. The full InChI is InChI=1S/C5H8N4O3S2.Na/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);/q;+1/b7-4-;.
What are the key properties of sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide?
sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide has a molecular weight of 259.27 g/mol, XLogP of -4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide is sourced from PubChem (CID 54725518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).