3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid

C8H15NO5S — CID 82731745

IUPAC3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
SMILESCN(C1CCOC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO5S/c1-9(7-2-4-14-6-7)15(12,13)5-3-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPXHGQXGLXSBFTD-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds5

About 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid

3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid (PubChem CID 82731745) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
PubChem CID82731745
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
SMILESCN(C1CCOC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO5S/c1-9(7-2-4-14-6-7)15(12,13)5-3-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPXHGQXGLXSBFTD-UHFFFAOYSA-N
XLogP-0.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid (CID 82731745) is 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid is CN(C1CCOC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid?
The InChIKey is PXHGQXGLXSBFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-9(7-2-4-14-6-7)15(12,13)5-3-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid?
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 82731745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).