1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid

C7H11N5O4S — CID 114806601

IUPAC1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCNS(=O)(=O)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C7H11N5O4S/c1-8-17(15,16)11-2-5(3-11)12-4-6(7(13)14)9-10-12/h4-5,8H,2-3H2,1H3,(H,13,14)
InChIKeyIMGAJSJLBANVCG-UHFFFAOYSA-N
MW261.26 g/mol
LogP-1.70
Rot. Bonds4

About 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 114806601) has the molecular formula C7H11N5O4S and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID114806601
Molecular FormulaC7H11N5O4S
Molecular Weight261.26 g/mol
Exact Mass261.05
IUPAC Name1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCNS(=O)(=O)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C7H11N5O4S/c1-8-17(15,16)11-2-5(3-11)12-4-6(7(13)14)9-10-12/h4-5,8H,2-3H2,1H3,(H,13,14)
InChIKeyIMGAJSJLBANVCG-UHFFFAOYSA-N
XLogP-1.70
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(propylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806600
1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79312190
1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129494797
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79311323
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(3-ethylsulfonylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311135
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077
1-[1-(3-aminopropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309694

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 114806601) is 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid is CNS(=O)(=O)N1CC(n2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is IMGAJSJLBANVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O4S/c1-8-17(15,16)11-2-5(3-11)12-4-6(7(13)14)9-10-12/h4-5,8H,2-3H2,1H3,(H,13,14).
What are the key properties of 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 114806601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).