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

C9H13N3O5S — CID 43662857

IUPAC4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H13N3O5S/c13-7(14)2-1-5-18(15,16)12-9-11-10-8(17-9)6-3-4-6/h6H,1-5H2,(H,11,12)(H,13,14)
InChIKeyBFNDWFUFUPFFSG-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.55
Rot. Bonds7

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

4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid (PubChem CID 43662857) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid
PubChem CID43662857
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H13N3O5S/c13-7(14)2-1-5-18(15,16)12-9-11-10-8(17-9)6-3-4-6/h6H,1-5H2,(H,11,12)(H,13,14)
InChIKeyBFNDWFUFUPFFSG-UHFFFAOYSA-N
XLogP0.55
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid (CID 43662857) is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid?
The InChIKey is BFNDWFUFUPFFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c13-7(14)2-1-5-18(15,16)12-9-11-10-8(17-9)6-3-4-6/h6H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid?
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid has a molecular weight of 275.29 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43662857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).