6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid

C11H16N2O4S — CID 87659829

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)O)cn2)C[C@H](C)O1
InChIInChI=1S/C11H16N2O4S/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)18(14,15)16/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16)/t8-,9+
InChIKeyIJOVSTCCXZBHDU-DTORHVGOSA-N
MW272.33 g/mol
LogP0.94
Rot. Bonds2

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid (PubChem CID 87659829) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid
PubChem CID87659829
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)O)cn2)C[C@H](C)O1
InChIInChI=1S/C11H16N2O4S/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)18(14,15)16/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16)/t8-,9+
InChIKeyIJOVSTCCXZBHDU-DTORHVGOSA-N
XLogP0.94
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 47983366
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(4-sulfamoylphenyl)acetamide
CID 56510821
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
(2R,6S)-4-(5-tert-butylpyrazin-2-yl)-2,6-dimethylmorpholine
CID 129258390
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid (CID 87659829) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid is C[C@@H]1CN(c2ccc(S(=O)(=O)O)cn2)C[C@H](C)O1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid?
The InChIKey is IJOVSTCCXZBHDU-DTORHVGOSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)18(14,15)16/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16)/t8-,9+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid has a molecular weight of 272.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid is sourced from PubChem (CID 87659829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).