2-(azetidin-3-ylsulfamoyl)acetic acid

C5H10N2O4S — CID 66188177

IUPAC2-(azetidin-3-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CNC1
InChIInChI=1S/C5H10N2O4S/c8-5(9)3-12(10,11)7-4-1-6-2-4/h4,6-7H,1-3H2,(H,8,9)
InChIKeyVTKIDQOMZWYCEA-UHFFFAOYSA-N
MW194.21 g/mol
LogP-2.04
Rot. Bonds4

About 2-(azetidin-3-ylsulfamoyl)acetic acid

2-(azetidin-3-ylsulfamoyl)acetic acid (PubChem CID 66188177) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(azetidin-3-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(azetidin-3-ylsulfamoyl)acetic acid
PubChem CID66188177
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name2-(azetidin-3-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CNC1
InChIInChI=1S/C5H10N2O4S/c8-5(9)3-12(10,11)7-4-1-6-2-4/h4,6-7H,1-3H2,(H,8,9)
InChIKeyVTKIDQOMZWYCEA-UHFFFAOYSA-N
XLogP-2.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(azetidin-3-ylsulfamoyl)acetic acid (CID 66188177) is 2-(azetidin-3-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(azetidin-3-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(azetidin-3-ylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylsulfamoyl)acetic acid?
The InChIKey is VTKIDQOMZWYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c8-5(9)3-12(10,11)7-4-1-6-2-4/h4,6-7H,1-3H2,(H,8,9).
What are the key properties of 2-(azetidin-3-ylsulfamoyl)acetic acid?
2-(azetidin-3-ylsulfamoyl)acetic acid has a molecular weight of 194.21 g/mol, XLogP of -2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylsulfamoyl)acetic acid is sourced from PubChem (CID 66188177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).