2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid

C13H17NO5S — CID 66435977

IUPAC2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)c1ccccc1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H17NO5S/c1-20(17,18)12-5-3-2-4-11(12)14-6-7-19-10(9-14)8-13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeySAILXOCJVWQFKT-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.77
Rot. Bonds4

About 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid

2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid (PubChem CID 66435977) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
PubChem CID66435977
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)c1ccccc1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H17NO5S/c1-20(17,18)12-5-3-2-4-11(12)14-6-7-19-10(9-14)8-13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeySAILXOCJVWQFKT-UHFFFAOYSA-N
XLogP0.77
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic 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-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
CID 66435975
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
CID 66433060
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
CID 102935217
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
CID 133355858
2-[4-(2-propylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248779
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
2-[4-(2-methylsulfonyl-3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 119247693
bis(1-adamantyl)-[4-(2-methylsulfonylphenyl)morpholin-2-yl]phosphane
CID 175990731
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid (CID 66435977) is 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid is CS(=O)(=O)c1ccccc1N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid?
The InChIKey is SAILXOCJVWQFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-20(17,18)12-5-3-2-4-11(12)14-6-7-19-10(9-14)8-13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid?
2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid has a molecular weight of 299.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).