4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine

C11H23NOS2 — CID 118259793

IUPAC4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine
SMILESCC(C)(C)CSSCCN1CCOCC1
InChIInChI=1S/C11H23NOS2/c1-11(2,3)10-15-14-9-6-12-4-7-13-8-5-12/h4-10H2,1-3H3
InChIKeyURTZYICIXBOBEQ-UHFFFAOYSA-N
MW249.44 g/mol
LogP2.75
Rot. Bonds5

About 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine

4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine (PubChem CID 118259793) has the molecular formula C11H23NOS2 and a molecular weight of 249.44 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine
PubChem CID118259793
Molecular FormulaC11H23NOS2
Molecular Weight249.44 g/mol
Exact Mass249.12
IUPAC Name4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine
SMILESCC(C)(C)CSSCCN1CCOCC1
InChIInChI=1S/C11H23NOS2/c1-11(2,3)10-15-14-9-6-12-4-7-13-8-5-12/h4-10H2,1-3H3
InChIKeyURTZYICIXBOBEQ-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,3,6-trimethylheptyldisulfanyl)ethyl]morpholine
CID 126560737
4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine
CID 134232913
4-[2-[[3-(3,3-dimethylbutyl)-3,10,10-trimethyl-5-(2-morpholin-4-ylethyldisulfanyl)undecyl]disulfanyl]ethyl]morpholine
CID 149217383
4-(2-hydroxysulfanylethyl)morpholine
CID 166162246
S-(3,3-dimethylbutyl) 3-morpholin-4-ylpropanethioate
CID 123525707
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
4-(3-methylsulfanylpropyl)morpholine
CID 2247110
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
2-morpholin-4-ylethyl thiocyanate
CID 59595122
4-(2-isocyanosulfanylethyl)morpholine
CID 151698535
ethane;4-propylmorpholine
CID 143004992
4-propylmorpholine;hydrobromide
CID 70540609

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine?
The IUPAC name of 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine (CID 118259793) is 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine is CC(C)(C)CSSCCN1CCOCC1.
What is the InChIKey of 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine?
The InChIKey is URTZYICIXBOBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS2/c1-11(2,3)10-15-14-9-6-12-4-7-13-8-5-12/h4-10H2,1-3H3.
What are the key properties of 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine?
4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine has a molecular weight of 249.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine is sourced from PubChem (CID 118259793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).