methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate

C10H15N3O5S — CID 61460458

IUPACmethyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H15N3O5S/c1-17-8(14)3-2-6-19(15,16)13-10-12-11-9(18-10)7-4-5-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyHCEHGDBQRJPRHC-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.64
Rot. Bonds7

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

methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate (PubChem CID 61460458) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate
PubChem CID61460458
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Namemethyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H15N3O5S/c1-17-8(14)3-2-6-19(15,16)13-10-12-11-9(18-10)7-4-5-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyHCEHGDBQRJPRHC-UHFFFAOYSA-N
XLogP0.64
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate (CID 61460458) is methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate?
The InChIKey is HCEHGDBQRJPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-17-8(14)3-2-6-19(15,16)13-10-12-11-9(18-10)7-4-5-7/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate?
methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate has a molecular weight of 289.31 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate is sourced from PubChem (CID 61460458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).