4-(6,6-dimethoxyhexyl)thiomorpholine

C12H25NO2S — CID 134925849

IUPAC4-(6,6-dimethoxyhexyl)thiomorpholine
SMILESCOC(CCCCCN1CCSCC1)OC
InChIInChI=1S/C12H25NO2S/c1-14-12(15-2)6-4-3-5-7-13-8-10-16-11-9-13/h12H,3-11H2,1-2H3
InChIKeyHJFNTBHQVZTPIN-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.21
Rot. Bonds8

About 4-(6,6-dimethoxyhexyl)thiomorpholine

4-(6,6-dimethoxyhexyl)thiomorpholine (PubChem CID 134925849) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-(6,6-dimethoxyhexyl)thiomorpholine.

Molecular Properties

Compound Name4-(6,6-dimethoxyhexyl)thiomorpholine
PubChem CID134925849
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-(6,6-dimethoxyhexyl)thiomorpholine
SMILESCOC(CCCCCN1CCSCC1)OC
InChIInChI=1S/C12H25NO2S/c1-14-12(15-2)6-4-3-5-7-13-8-10-16-11-9-13/h12H,3-11H2,1-2H3
InChIKeyHJFNTBHQVZTPIN-UHFFFAOYSA-N
XLogP2.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethoxyhexyl)thiomorpholine?
The IUPAC name of 4-(6,6-dimethoxyhexyl)thiomorpholine (CID 134925849) is 4-(6,6-dimethoxyhexyl)thiomorpholine.
What is the SMILES notation for 4-(6,6-dimethoxyhexyl)thiomorpholine?
The canonical SMILES for 4-(6,6-dimethoxyhexyl)thiomorpholine is COC(CCCCCN1CCSCC1)OC.
What is the InChIKey of 4-(6,6-dimethoxyhexyl)thiomorpholine?
The InChIKey is HJFNTBHQVZTPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-14-12(15-2)6-4-3-5-7-13-8-10-16-11-9-13/h12H,3-11H2,1-2H3.
What are the key properties of 4-(6,6-dimethoxyhexyl)thiomorpholine?
4-(6,6-dimethoxyhexyl)thiomorpholine has a molecular weight of 247.40 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethoxyhexyl)thiomorpholine is sourced from PubChem (CID 134925849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).