10-morpholin-4-yldecane-1-sulfonic acid

C14H29NO4S — CID 18415222

IUPAC10-morpholin-4-yldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCN1CCOCC1
InChIInChI=1S/C14H29NO4S/c16-20(17,18)14-8-6-4-2-1-3-5-7-9-15-10-12-19-13-11-15/h1-14H2,(H,16,17,18)
InChIKeyLMFMURXQPPLZDV-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.33
Rot. Bonds11

About 10-morpholin-4-yldecane-1-sulfonic acid

10-morpholin-4-yldecane-1-sulfonic acid (PubChem CID 18415222) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 10-morpholin-4-yldecane-1-sulfonic acid.

Molecular Properties

Compound Name10-morpholin-4-yldecane-1-sulfonic acid
PubChem CID18415222
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name10-morpholin-4-yldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCN1CCOCC1
InChIInChI=1S/C14H29NO4S/c16-20(17,18)14-8-6-4-2-1-3-5-7-9-15-10-12-19-13-11-15/h1-14H2,(H,16,17,18)
InChIKeyLMFMURXQPPLZDV-UHFFFAOYSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.33
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 10-morpholin-4-yldecane-1-sulfonic acid?
The IUPAC name of 10-morpholin-4-yldecane-1-sulfonic acid (CID 18415222) is 10-morpholin-4-yldecane-1-sulfonic acid.
What is the SMILES notation for 10-morpholin-4-yldecane-1-sulfonic acid?
The canonical SMILES for 10-morpholin-4-yldecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCN1CCOCC1.
What is the InChIKey of 10-morpholin-4-yldecane-1-sulfonic acid?
The InChIKey is LMFMURXQPPLZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c16-20(17,18)14-8-6-4-2-1-3-5-7-9-15-10-12-19-13-11-15/h1-14H2,(H,16,17,18).
What are the key properties of 10-morpholin-4-yldecane-1-sulfonic acid?
10-morpholin-4-yldecane-1-sulfonic acid has a molecular weight of 307.46 g/mol, XLogP of 2.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-morpholin-4-yldecane-1-sulfonic acid is sourced from PubChem (CID 18415222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).