3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid

C8H15NO5S — CID 43542018

IUPAC3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1COCCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO5S/c1-7-6-14-4-3-9(7)15(12,13)5-2-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDJLFFQPEHVULSQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds4

About 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid

3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid (PubChem CID 43542018) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid
PubChem CID43542018
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1COCCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO5S/c1-7-6-14-4-3-9(7)15(12,13)5-2-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDJLFFQPEHVULSQ-UHFFFAOYSA-N
XLogP-0.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(3-methylmorpholin-4-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid (CID 43542018) is 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid is CC1COCCN1S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid?
The InChIKey is DJLFFQPEHVULSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-7-6-14-4-3-9(7)15(12,13)5-2-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid?
3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)sulfonylpropanoic acid is sourced from PubChem (CID 43542018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).