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

C8H15NO5S — CID 28773487

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid
SMILESC[C@@H]1CN(S(=O)(=O)CC(=O)O)C[C@H](C)O1
InChIInChI=1S/C8H15NO5S/c1-6-3-9(4-7(2)14-6)15(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7+
InChIKeyFRIRYTHHIFBOTP-KNVOCYPGSA-N
MW237.28 g/mol
LogP-0.49
Rot. Bonds3

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

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid (PubChem CID 28773487) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid
PubChem CID28773487
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid
SMILESC[C@@H]1CN(S(=O)(=O)CC(=O)O)C[C@H](C)O1
InChIInChI=1S/C8H15NO5S/c1-6-3-9(4-7(2)14-6)15(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7+
InChIKeyFRIRYTHHIFBOTP-KNVOCYPGSA-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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Related Compounds

2-Morpholin-4-ylsulfonylacetic acid
CID 332517
3-(4-Morpholinylsulfonyl)propanoic acid
CID 4962731
2-(((2R,6S)-2,6-dimethylmorpholin-4-yl)sulfonyl)ethan-1-ol
CID 104959533
(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 42035723
2-Morpholin-4-ylsulfonylethaneperoxoic acid
CID 57574385
2-Methyl-2-(morpholine-4-sulfonyl)-propionic acid
CID 59634256
(Morpholine-4-sulfonyl)acetic acid methyl ester
CID 63900315
3-[4-(2-Acetyloxyethyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid
CID 102151748
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid (CID 28773487) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid is C[C@@H]1CN(S(=O)(=O)CC(=O)O)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid?
The InChIKey is FRIRYTHHIFBOTP-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-6-3-9(4-7(2)14-6)15(12,13)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic 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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid is sourced from PubChem (CID 28773487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).