7-morpholin-4-ylheptane-1-sulfonic acid

C11H23NO4S — CID 18415218

IUPAC7-morpholin-4-ylheptane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCN1CCOCC1
InChIInChI=1S/C11H23NO4S/c13-17(14,15)11-5-3-1-2-4-6-12-7-9-16-10-8-12/h1-11H2,(H,13,14,15)
InChIKeyRFFCPPRVPSEPRD-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.16
Rot. Bonds8

About 7-morpholin-4-ylheptane-1-sulfonic acid

7-morpholin-4-ylheptane-1-sulfonic acid (PubChem CID 18415218) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 7-morpholin-4-ylheptane-1-sulfonic acid.

Molecular Properties

Compound Name7-morpholin-4-ylheptane-1-sulfonic acid
PubChem CID18415218
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name7-morpholin-4-ylheptane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCN1CCOCC1
InChIInChI=1S/C11H23NO4S/c13-17(14,15)11-5-3-1-2-4-6-12-7-9-16-10-8-12/h1-11H2,(H,13,14,15)
InChIKeyRFFCPPRVPSEPRD-UHFFFAOYSA-N
XLogP1.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-ylheptane-1-sulfonic acid?
The IUPAC name of 7-morpholin-4-ylheptane-1-sulfonic acid (CID 18415218) is 7-morpholin-4-ylheptane-1-sulfonic acid.
What is the SMILES notation for 7-morpholin-4-ylheptane-1-sulfonic acid?
The canonical SMILES for 7-morpholin-4-ylheptane-1-sulfonic acid is O=S(=O)(O)CCCCCCCN1CCOCC1.
What is the InChIKey of 7-morpholin-4-ylheptane-1-sulfonic acid?
The InChIKey is RFFCPPRVPSEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c13-17(14,15)11-5-3-1-2-4-6-12-7-9-16-10-8-12/h1-11H2,(H,13,14,15).
What are the key properties of 7-morpholin-4-ylheptane-1-sulfonic acid?
7-morpholin-4-ylheptane-1-sulfonic acid has a molecular weight of 265.37 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-ylheptane-1-sulfonic acid is sourced from PubChem (CID 18415218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).