12-morpholin-4-yldodecane-1-sulfonic acid

C16H33NO4S — CID 18415240

IUPAC12-morpholin-4-yldodecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C16H33NO4S/c18-22(19,20)16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-21-15-13-17/h1-16H2,(H,18,19,20)
InChIKeySQZQNWMQZWIIBH-UHFFFAOYSA-N
MW335.51 g/mol
LogP3.11
Rot. Bonds13

About 12-morpholin-4-yldodecane-1-sulfonic acid

12-morpholin-4-yldodecane-1-sulfonic acid (PubChem CID 18415240) has the molecular formula C16H33NO4S and a molecular weight of 335.51 g/mol. Its IUPAC name is 12-morpholin-4-yldodecane-1-sulfonic acid.

Molecular Properties

Compound Name12-morpholin-4-yldodecane-1-sulfonic acid
PubChem CID18415240
Molecular FormulaC16H33NO4S
Molecular Weight335.51 g/mol
Exact Mass335.21
IUPAC Name12-morpholin-4-yldodecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C16H33NO4S/c18-22(19,20)16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-21-15-13-17/h1-16H2,(H,18,19,20)
InChIKeySQZQNWMQZWIIBH-UHFFFAOYSA-N
XLogP3.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 53.11
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

sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
CID 132598884
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
CID 87217926
propane-1-sulfonic acid;4-propylmorpholine
CID 118072968
CID 5478391
CID 5478391
9-morpholin-4-ylnonan-1-ol
CID 58205558
20-morpholin-4-ylicosan-1-ol
CID 58205553
1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one
CID 58144026
1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
CID 175062577
iron(3+);tris(3-morpholin-4-ylpropane-1-sulfonate)
CID 158409877
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803

Frequently Asked Questions

What is the IUPAC name of 12-morpholin-4-yldodecane-1-sulfonic acid?
The IUPAC name of 12-morpholin-4-yldodecane-1-sulfonic acid (CID 18415240) is 12-morpholin-4-yldodecane-1-sulfonic acid.
What is the SMILES notation for 12-morpholin-4-yldodecane-1-sulfonic acid?
The canonical SMILES for 12-morpholin-4-yldodecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 12-morpholin-4-yldodecane-1-sulfonic acid?
The InChIKey is SQZQNWMQZWIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4S/c18-22(19,20)16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-21-15-13-17/h1-16H2,(H,18,19,20).
What are the key properties of 12-morpholin-4-yldodecane-1-sulfonic acid?
12-morpholin-4-yldodecane-1-sulfonic acid has a molecular weight of 335.51 g/mol, XLogP of 3.11, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-morpholin-4-yldodecane-1-sulfonic acid is sourced from PubChem (CID 18415240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).