2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid

C7H9N3O5S — CID 43662855

IUPAC2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C7H9N3O5S/c11-5(12)3-16(13,14)10-7-9-8-6(15-7)4-1-2-4/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeySSDAGVOVXBPSTB-UHFFFAOYSA-N
MW247.23 g/mol
LogP-0.23
Rot. Bonds5

About 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid (PubChem CID 43662855) has the molecular formula C7H9N3O5S and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid
PubChem CID43662855
Molecular FormulaC7H9N3O5S
Molecular Weight247.23 g/mol
Exact Mass247.03
IUPAC Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C7H9N3O5S/c11-5(12)3-16(13,14)10-7-9-8-6(15-7)4-1-2-4/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeySSDAGVOVXBPSTB-UHFFFAOYSA-N
XLogP-0.23
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid (CID 43662855) is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid?
The InChIKey is SSDAGVOVXBPSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5S/c11-5(12)3-16(13,14)10-7-9-8-6(15-7)4-1-2-4/h4H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid?
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid has a molecular weight of 247.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 43662855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).