methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate

C6H10N4O4S — CID 61456841

IUPACmethyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H10N4O4S/c1-14-6(11)3-15(12,13)9-2-5-7-4-8-10-5/h4,9H,2-3H2,1H3,(H,7,8,10)
InChIKeyUQYYEZZFEPOMEP-UHFFFAOYSA-N
MW234.24 g/mol
LogP-1.60
Rot. Bonds5

About methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate

methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate (PubChem CID 61456841) has the molecular formula C6H10N4O4S and a molecular weight of 234.24 g/mol. Its IUPAC name is methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate
PubChem CID61456841
Molecular FormulaC6H10N4O4S
Molecular Weight234.24 g/mol
Exact Mass234.04
IUPAC Namemethyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H10N4O4S/c1-14-6(11)3-15(12,13)9-2-5-7-4-8-10-5/h4,9H,2-3H2,1H3,(H,7,8,10)
InChIKeyUQYYEZZFEPOMEP-UHFFFAOYSA-N
XLogP-1.60
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 63666633
methyl 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzoate
CID 60983083
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-ene-1-sulfonamide
CID 79673895
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 106013145
3-methoxy-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzoic acid
CID 102694756
methyl 5-bromo-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
CID 60983211
methyl 2-(benzylsulfamoyl)acetate
CID 130159397
N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
CID 60983716
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428
3-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propane-1-sulfonamide
CID 114137262
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate?
The IUPAC name of methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate (CID 61456841) is methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate?
The InChIKey is UQYYEZZFEPOMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S/c1-14-6(11)3-15(12,13)9-2-5-7-4-8-10-5/h4,9H,2-3H2,1H3,(H,7,8,10).
What are the key properties of methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate?
methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate has a molecular weight of 234.24 g/mol, XLogP of -1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate is sourced from PubChem (CID 61456841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).