2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid

C8H15NO5S — CID 61454365

IUPAC2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1CN(S(=O)(=O)C(C)C(=O)O)CCO1
InChIInChI=1S/C8H15NO5S/c1-6-5-9(3-4-14-6)15(12,13)7(2)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyKHAMYSSFSPRVBJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds3

About 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid

2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid (PubChem CID 61454365) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid
PubChem CID61454365
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1CN(S(=O)(=O)C(C)C(=O)O)CCO1
InChIInChI=1S/C8H15NO5S/c1-6-5-9(3-4-14-6)15(12,13)7(2)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyKHAMYSSFSPRVBJ-UHFFFAOYSA-N
XLogP-0.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid (CID 61454365) is 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid is CC1CN(S(=O)(=O)C(C)C(=O)O)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
The InChIKey is KHAMYSSFSPRVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-6-5-9(3-4-14-6)15(12,13)7(2)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)sulfonylpropanoic acid is sourced from PubChem (CID 61454365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).