8-morpholin-4-yloctane-1-sulfonic acid

C12H25NO4S — CID 18415188

IUPAC8-morpholin-4-yloctane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCN1CCOCC1
InChIInChI=1S/C12H25NO4S/c14-18(15,16)12-6-4-2-1-3-5-7-13-8-10-17-11-9-13/h1-12H2,(H,14,15,16)
InChIKeyPGYACNBOYDCLCD-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.55
Rot. Bonds9

About 8-morpholin-4-yloctane-1-sulfonic acid

8-morpholin-4-yloctane-1-sulfonic acid (PubChem CID 18415188) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 8-morpholin-4-yloctane-1-sulfonic acid.

Molecular Properties

Compound Name8-morpholin-4-yloctane-1-sulfonic acid
PubChem CID18415188
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name8-morpholin-4-yloctane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCN1CCOCC1
InChIInChI=1S/C12H25NO4S/c14-18(15,16)12-6-4-2-1-3-5-7-13-8-10-17-11-9-13/h1-12H2,(H,14,15,16)
InChIKeyPGYACNBOYDCLCD-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.55
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

4-Morpholinobutane-1-sulfonic acid
CID 3674064
(Morpholino)butanesulfonic acid
CID 22642294
4-Ethyl-4-hexadecylmorpholin-4-ium methanesulfonate
CID 24181517
Sulfooctyl diethanolamine
CID 129712280
4-Ethyl-4-hexadecylmorpholin-4-ium dodecane-1-sulfonate
CID 24181518
4-Methyl-4-(3-sulfopropyl)morpholin-4-ium
CID 421399
2-Morpholin-4-ylpentane-1-sulfonic acid
CID 17805016
7-Morpholin-4-ylheptane-1-sulfonic acid
CID 18415218
10-Morpholin-4-yldecane-1-sulfonic acid
CID 18415222
12-Morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
6-Morpholin-4-ylhexane-1-sulfonic acid
CID 18415249
5-Morpholin-4-ylpentane-1-sulfonic acid
CID 18415280

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yloctane-1-sulfonic acid?
The IUPAC name of 8-morpholin-4-yloctane-1-sulfonic acid (CID 18415188) is 8-morpholin-4-yloctane-1-sulfonic acid.
What is the SMILES notation for 8-morpholin-4-yloctane-1-sulfonic acid?
The canonical SMILES for 8-morpholin-4-yloctane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCN1CCOCC1.
What is the InChIKey of 8-morpholin-4-yloctane-1-sulfonic acid?
The InChIKey is PGYACNBOYDCLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c14-18(15,16)12-6-4-2-1-3-5-7-13-8-10-17-11-9-13/h1-12H2,(H,14,15,16).
What are the key properties of 8-morpholin-4-yloctane-1-sulfonic acid?
8-morpholin-4-yloctane-1-sulfonic acid has a molecular weight of 279.40 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yloctane-1-sulfonic acid is sourced from PubChem (CID 18415188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).