3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid

C8H15NO5S — CID 43209522

IUPAC3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1CN(S(=O)(=O)CCC(=O)O)CCO1
InChIInChI=1S/C8H15NO5S/c1-7-6-9(3-4-14-7)15(12,13)5-2-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyZAFAMIZXLYJAMR-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds4

About 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid

3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid (PubChem CID 43209522) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid
PubChem CID43209522
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1CN(S(=O)(=O)CCC(=O)O)CCO1
InChIInChI=1S/C8H15NO5S/c1-7-6-9(3-4-14-7)15(12,13)5-2-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyZAFAMIZXLYJAMR-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

Analyze 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Morpholin-4-ylsulfonylacetic acid
CID 332517
3-(4-Morpholinylsulfonyl)propanoic acid
CID 4962731
(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 42035723
2-Methyl-2-(morpholine-4-sulfonyl)-propionic acid
CID 59634256
2-Acetyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040773
2-(2,2-Dimethylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040774
3-Morpholin-4-yl-2-propanoyloxypropane-1-sulfonic acid
CID 129040779
2-(2-Methylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040780
3-Morpholin-4-yl-2-propanoyloxypropane-1-sulfonate
CID 153475364
2-Acetyloxy-3-morpholin-4-ylpropane-1-sulfonate
CID 153475389
2-(2,2-Dimethylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonate
CID 153475409
2-(2-Methylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonate
CID 153475411

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid (CID 43209522) is 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid is CC1CN(S(=O)(=O)CCC(=O)O)CCO1.
What is the InChIKey of 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
The InChIKey is ZAFAMIZXLYJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-7-6-9(3-4-14-7)15(12,13)5-2-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-(2-methylmorpholin-4-yl)sulfonylpropanoic acid?
3-(2-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-(2-methylmorpholin-4-yl)sulfonylpropanoic acid is sourced from PubChem (CID 43209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).