1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid

C9H19NO5S — CID 139692926

IUPAC1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid
SMILESO=S(=O)(O)C(CCO)CCN1CCOCC1
InChIInChI=1S/C9H19NO5S/c11-6-2-9(16(12,13)14)1-3-10-4-7-15-8-5-10/h9,11H,1-8H2,(H,12,13,14)
InChIKeyOEGUTHMZIFABRH-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.65
Rot. Bonds6

About 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid

1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid (PubChem CID 139692926) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid.

Molecular Properties

Compound Name1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid
PubChem CID139692926
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid
SMILESO=S(=O)(O)C(CCO)CCN1CCOCC1
InChIInChI=1S/C9H19NO5S/c11-6-2-9(16(12,13)14)1-3-10-4-7-15-8-5-10/h9,11H,1-8H2,(H,12,13,14)
InChIKeyOEGUTHMZIFABRH-UHFFFAOYSA-N
XLogP-0.65
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid?
The IUPAC name of 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid (CID 139692926) is 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid.
What is the SMILES notation for 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid?
The canonical SMILES for 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid is O=S(=O)(O)C(CCO)CCN1CCOCC1.
What is the InChIKey of 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid?
The InChIKey is OEGUTHMZIFABRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c11-6-2-9(16(12,13)14)1-3-10-4-7-15-8-5-10/h9,11H,1-8H2,(H,12,13,14).
What are the key properties of 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid?
1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid has a molecular weight of 253.32 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid is sourced from PubChem (CID 139692926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).