2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid

C17H35NO5S — CID 129040794

IUPAC2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid
SMILESCCCCCCCCCCOC(CN1CCOCC1)CS(=O)(=O)O
InChIInChI=1S/C17H35NO5S/c1-2-3-4-5-6-7-8-9-12-23-17(16-24(19,20)21)15-18-10-13-22-14-11-18/h17H,2-16H2,1H3,(H,19,20,21)
InChIKeyFOTPXYWGFRCCAU-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.73
Rot. Bonds14

About 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid

2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid (PubChem CID 129040794) has the molecular formula C17H35NO5S and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid
PubChem CID129040794
Molecular FormulaC17H35NO5S
Molecular Weight365.54 g/mol
Exact Mass365.22
IUPAC Name2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid
SMILESCCCCCCCCCCOC(CN1CCOCC1)CS(=O)(=O)O
InChIInChI=1S/C17H35NO5S/c1-2-3-4-5-6-7-8-9-12-23-17(16-24(19,20)21)15-18-10-13-22-14-11-18/h17H,2-16H2,1H3,(H,19,20,21)
InChIKeyFOTPXYWGFRCCAU-UHFFFAOYSA-N
XLogP2.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-hexoxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040791
2-hexadecanoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040803
2-(4-methoxybutanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040801
sodium;2-dodecoxy-3-hydroxypropane-1-sulfonic acid;hydride
CID 173026378
3-morpholin-4-yl-2-[(E)-non-2-enoyl]oxypropane-1-sulfonate
CID 153475400
2-dodecoxy-2-hydroxyethanesulfonic acid
CID 141033814
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
2-benzoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040781
2-(9H-fluorene-9-carbonyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040795
CID 6331016
CID 6331016
1-morpholin-4-ylheptan-2-ol
CID 15312312

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid?
The IUPAC name of 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid (CID 129040794) is 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid.
What is the SMILES notation for 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid?
The canonical SMILES for 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid is CCCCCCCCCCOC(CN1CCOCC1)CS(=O)(=O)O.
What is the InChIKey of 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid?
The InChIKey is FOTPXYWGFRCCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO5S/c1-2-3-4-5-6-7-8-9-12-23-17(16-24(19,20)21)15-18-10-13-22-14-11-18/h17H,2-16H2,1H3,(H,19,20,21).
What are the key properties of 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid?
2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid has a molecular weight of 365.54 g/mol, XLogP of 2.73, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid is sourced from PubChem (CID 129040794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).