4-(9,9-dimethyldecyl)thiomorpholine

C16H33NS — CID 118887392

IUPAC4-(9,9-dimethyldecyl)thiomorpholine
SMILESCC(C)(C)CCCCCCCCN1CCSCC1
InChIInChI=1S/C16H33NS/c1-16(2,3)10-8-6-4-5-7-9-11-17-12-14-18-15-13-17/h4-15H2,1-3H3
InChIKeyHDFICTGEMHHWHO-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.81
Rot. Bonds8

About 4-(9,9-dimethyldecyl)thiomorpholine

4-(9,9-dimethyldecyl)thiomorpholine (PubChem CID 118887392) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 4-(9,9-dimethyldecyl)thiomorpholine.

Molecular Properties

Compound Name4-(9,9-dimethyldecyl)thiomorpholine
PubChem CID118887392
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name4-(9,9-dimethyldecyl)thiomorpholine
SMILESCC(C)(C)CCCCCCCCN1CCSCC1
InChIInChI=1S/C16H33NS/c1-16(2,3)10-8-6-4-5-7-9-11-17-12-14-18-15-13-17/h4-15H2,1-3H3
InChIKeyHDFICTGEMHHWHO-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.81
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-(9,9-dimethyldecyl)thiomorpholine?
The IUPAC name of 4-(9,9-dimethyldecyl)thiomorpholine (CID 118887392) is 4-(9,9-dimethyldecyl)thiomorpholine.
What is the SMILES notation for 4-(9,9-dimethyldecyl)thiomorpholine?
The canonical SMILES for 4-(9,9-dimethyldecyl)thiomorpholine is CC(C)(C)CCCCCCCCN1CCSCC1.
What is the InChIKey of 4-(9,9-dimethyldecyl)thiomorpholine?
The InChIKey is HDFICTGEMHHWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-16(2,3)10-8-6-4-5-7-9-11-17-12-14-18-15-13-17/h4-15H2,1-3H3.
What are the key properties of 4-(9,9-dimethyldecyl)thiomorpholine?
4-(9,9-dimethyldecyl)thiomorpholine has a molecular weight of 271.51 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyldecyl)thiomorpholine is sourced from PubChem (CID 118887392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).