4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid

C10H21NO4S — CID 9248889

IUPAC4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
SMILESC[C@@H]1CN(CCCCS(=O)(=O)O)C[C@@H](C)O1
InChIInChI=1S/C10H21NO4S/c1-9-7-11(8-10(2)15-9)5-3-4-6-16(12,13)14/h9-10H,3-8H2,1-2H3,(H,12,13,14)/t9-,10-/m1/s1
InChIKeyWIOFZJARVGMOPD-NXEZZACHSA-N
MW251.35 g/mol
LogP0.76
Rot. Bonds5

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid (PubChem CID 9248889) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid.

Molecular Properties

Compound Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
PubChem CID9248889
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
SMILESC[C@@H]1CN(CCCCS(=O)(=O)O)C[C@@H](C)O1
InChIInChI=1S/C10H21NO4S/c1-9-7-11(8-10(2)15-9)5-3-4-6-16(12,13)14/h9-10H,3-8H2,1-2H3,(H,12,13,14)/t9-,10-/m1/s1
InChIKeyWIOFZJARVGMOPD-NXEZZACHSA-N
XLogP0.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]ethanesulfonamide
CID 97058705
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
CID 97039119
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
CID 94181344
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
CID 104960941
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid?
The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid (CID 9248889) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid.
What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid?
The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid is C[C@@H]1CN(CCCCS(=O)(=O)O)C[C@@H](C)O1.
What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid?
The InChIKey is WIOFZJARVGMOPD-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9-7-11(8-10(2)15-9)5-3-4-6-16(12,13)14/h9-10H,3-8H2,1-2H3,(H,12,13,14)/t9-,10-/m1/s1.
What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid?
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid has a molecular weight of 251.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid is sourced from PubChem (CID 9248889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).