4-(11,11-dimethyldodecyl)thiomorpholine

C18H37NS — CID 118887408

IUPAC4-(11,11-dimethyldodecyl)thiomorpholine
SMILESCC(C)(C)CCCCCCCCCCN1CCSCC1
InChIInChI=1S/C18H37NS/c1-18(2,3)12-10-8-6-4-5-7-9-11-13-19-14-16-20-17-15-19/h4-17H2,1-3H3
InChIKeyWGUZNZFSORIMLE-UHFFFAOYSA-N
MW299.57 g/mol
LogP5.59
Rot. Bonds10

About 4-(11,11-dimethyldodecyl)thiomorpholine

4-(11,11-dimethyldodecyl)thiomorpholine (PubChem CID 118887408) has the molecular formula C18H37NS and a molecular weight of 299.57 g/mol. Its IUPAC name is 4-(11,11-dimethyldodecyl)thiomorpholine.

Molecular Properties

Compound Name4-(11,11-dimethyldodecyl)thiomorpholine
PubChem CID118887408
Molecular FormulaC18H37NS
Molecular Weight299.57 g/mol
Exact Mass299.26
IUPAC Name4-(11,11-dimethyldodecyl)thiomorpholine
SMILESCC(C)(C)CCCCCCCCCCN1CCSCC1
InChIInChI=1S/C18H37NS/c1-18(2,3)12-10-8-6-4-5-7-9-11-13-19-14-16-20-17-15-19/h4-17H2,1-3H3
InChIKeyWGUZNZFSORIMLE-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.57
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cetylthiamorpholine
CID 429748
4-Hexadecyl-4-methylthiomorpholin-4-ium
CID 407838
4-Hexadecylthiomorpholine;hydrochloride
CID 24197407
4-Tetradecylthiomorpholine;hydrochloride
CID 24197408
4-Dodecylthiomorpholine
CID 427727
Piperidinoethyldodecylsulfid
CID 13751305
4-Hexadecyl-4-propylthiomorpholin-4-ium bromide
CID 24196381
4-Hexadecyl-4-methylthiomorpholin-4-ium iodide
CID 24196382
4-Dodecylthiomorpholine;hydrochloride
CID 24196385
4-Octadecylthiomorpholine;hydrochloride
CID 24196386
4-Methyl-4-octadecylthiomorpholin-4-ium iodide
CID 24196387
4-(4,4-Dimethylpentyl)thiomorpholine
CID 21030124

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethyldodecyl)thiomorpholine?
The IUPAC name of 4-(11,11-dimethyldodecyl)thiomorpholine (CID 118887408) is 4-(11,11-dimethyldodecyl)thiomorpholine.
What is the SMILES notation for 4-(11,11-dimethyldodecyl)thiomorpholine?
The canonical SMILES for 4-(11,11-dimethyldodecyl)thiomorpholine is CC(C)(C)CCCCCCCCCCN1CCSCC1.
What is the InChIKey of 4-(11,11-dimethyldodecyl)thiomorpholine?
The InChIKey is WGUZNZFSORIMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NS/c1-18(2,3)12-10-8-6-4-5-7-9-11-13-19-14-16-20-17-15-19/h4-17H2,1-3H3.
What are the key properties of 4-(11,11-dimethyldodecyl)thiomorpholine?
4-(11,11-dimethyldodecyl)thiomorpholine has a molecular weight of 299.57 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethyldodecyl)thiomorpholine is sourced from PubChem (CID 118887408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).