methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate

C10H16N4O5S — CID 102703727

IUPACmethyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H16N4O5S/c1-18-8(15)4-6-20(16,17)14-10-13-12-9(19-10)7-3-2-5-11-7/h7,11H,2-6H2,1H3,(H,13,14)
InChIKeySOBJQUZOSXSVIP-UHFFFAOYSA-N
MW304.33 g/mol
LogP-0.20
Rot. Bonds6

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

methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate (PubChem CID 102703727) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
PubChem CID102703727
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Namemethyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H16N4O5S/c1-18-8(15)4-6-20(16,17)14-10-13-12-9(19-10)7-3-2-5-11-7/h7,11H,2-6H2,1H3,(H,13,14)
InChIKeySOBJQUZOSXSVIP-UHFFFAOYSA-N
XLogP-0.20
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate (CID 102703727) is methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
The InChIKey is SOBJQUZOSXSVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-18-8(15)4-6-20(16,17)14-10-13-12-9(19-10)7-3-2-5-11-7/h7,11H,2-6H2,1H3,(H,13,14).
What are the key properties of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate has a molecular weight of 304.33 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 102703727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).