4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid

C10H19NO5S — CID 28773481

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid
SMILESC[C@@H]1CN(S(=O)(=O)CCCC(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H19NO5S/c1-8-6-11(7-9(2)16-8)17(14,15)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+
InChIKeyDMFQSMHNWJCNEM-DTORHVGOSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds5

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid (PubChem CID 28773481) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid
PubChem CID28773481
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid
SMILESC[C@@H]1CN(S(=O)(=O)CCCC(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H19NO5S/c1-8-6-11(7-9(2)16-8)17(14,15)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+
InChIKeyDMFQSMHNWJCNEM-DTORHVGOSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid (CID 28773481) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid is C[C@@H]1CN(S(=O)(=O)CCCC(=O)O)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid?
The InChIKey is DMFQSMHNWJCNEM-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8-6-11(7-9(2)16-8)17(14,15)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbutanoic acid is sourced from PubChem (CID 28773481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).