4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid

C9H15N3O5S — CID 114185894

IUPAC4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
SMILESCc1nc(CCNS(=O)(=O)CCCC(=O)O)no1
InChIInChI=1S/C9H15N3O5S/c1-7-11-8(12-17-7)4-5-10-18(15,16)6-2-3-9(13)14/h10H,2-6H2,1H3,(H,13,14)
InChIKeyGXSTYSYOPJBIPR-UHFFFAOYSA-N
MW277.30 g/mol
LogP-0.30
Rot. Bonds8

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

4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid (PubChem CID 114185894) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
PubChem CID114185894
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
SMILESCc1nc(CCNS(=O)(=O)CCCC(=O)O)no1
InChIInChI=1S/C9H15N3O5S/c1-7-11-8(12-17-7)4-5-10-18(15,16)6-2-3-9(13)14/h10H,2-6H2,1H3,(H,13,14)
InChIKeyGXSTYSYOPJBIPR-UHFFFAOYSA-N
XLogP-0.30
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
CID 106415621
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 106406470
1-(4-aminophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106413641
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 106414900
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420257
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
CID 106033208

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid (CID 114185894) is 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid is Cc1nc(CCNS(=O)(=O)CCCC(=O)O)no1.
What is the InChIKey of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid?
The InChIKey is GXSTYSYOPJBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-7-11-8(12-17-7)4-5-10-18(15,16)6-2-3-9(13)14/h10H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid?
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid has a molecular weight of 277.30 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 114185894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).