2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid

C9H17NO5S — CID 61454330

IUPAC2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1CN(S(=O)(=O)C(C)C(=O)O)CC(C)O1
InChIInChI=1S/C9H17NO5S/c1-6-4-10(5-7(2)15-6)16(13,14)8(3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyPIXPGBYBPWZZFI-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid

2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid (PubChem CID 61454330) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid
PubChem CID61454330
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1CN(S(=O)(=O)C(C)C(=O)O)CC(C)O1
InChIInChI=1S/C9H17NO5S/c1-6-4-10(5-7(2)15-6)16(13,14)8(3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyPIXPGBYBPWZZFI-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethylmorpholin-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid (CID 61454330) is 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid is CC1CN(S(=O)(=O)C(C)C(=O)O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
The InChIKey is PIXPGBYBPWZZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-6-4-10(5-7(2)15-6)16(13,14)8(3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)sulfonylpropanoic acid is sourced from PubChem (CID 61454330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).