2-methyl-2-morpholin-4-ylsulfonylpropanoic acid

C8H15NO5S — CID 59634256

IUPAC2-methyl-2-morpholin-4-ylsulfonylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H15NO5S/c1-8(2,7(10)11)15(12,13)9-3-5-14-6-4-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyKNOQHXJYHBXFES-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds3

About 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid

2-methyl-2-morpholin-4-ylsulfonylpropanoic acid (PubChem CID 59634256) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylsulfonylpropanoic acid
PubChem CID59634256
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-methyl-2-morpholin-4-ylsulfonylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H15NO5S/c1-8(2,7(10)11)15(12,13)9-3-5-14-6-4-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyKNOQHXJYHBXFES-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-methyl-2-morpholin-4-ylsulfonylpropanoic acid?
The IUPAC name of 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid (CID 59634256) is 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid?
The canonical SMILES for 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid?
The InChIKey is KNOQHXJYHBXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-8(2,7(10)11)15(12,13)9-3-5-14-6-4-9/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-morpholin-4-ylsulfonylpropanoic acid?
2-methyl-2-morpholin-4-ylsulfonylpropanoic 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-methyl-2-morpholin-4-ylsulfonylpropanoic acid is sourced from PubChem (CID 59634256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).