4-(6,6-diethoxyhexyl)thiomorpholine

C14H29NO2S — CID 135081043

IUPAC4-(6,6-diethoxyhexyl)thiomorpholine
SMILESCCOC(CCCCCN1CCSCC1)OCC
InChIInChI=1S/C14H29NO2S/c1-3-16-14(17-4-2)8-6-5-7-9-15-10-12-18-13-11-15/h14H,3-13H2,1-2H3
InChIKeyNEVNEJJOGWNXLH-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.99
Rot. Bonds10

About 4-(6,6-diethoxyhexyl)thiomorpholine

4-(6,6-diethoxyhexyl)thiomorpholine (PubChem CID 135081043) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 4-(6,6-diethoxyhexyl)thiomorpholine.

Molecular Properties

Compound Name4-(6,6-diethoxyhexyl)thiomorpholine
PubChem CID135081043
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name4-(6,6-diethoxyhexyl)thiomorpholine
SMILESCCOC(CCCCCN1CCSCC1)OCC
InChIInChI=1S/C14H29NO2S/c1-3-16-14(17-4-2)8-6-5-7-9-15-10-12-18-13-11-15/h14H,3-13H2,1-2H3
InChIKeyNEVNEJJOGWNXLH-UHFFFAOYSA-N
XLogP2.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.99
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-diethoxyhexyl)thiomorpholine?
The IUPAC name of 4-(6,6-diethoxyhexyl)thiomorpholine (CID 135081043) is 4-(6,6-diethoxyhexyl)thiomorpholine.
What is the SMILES notation for 4-(6,6-diethoxyhexyl)thiomorpholine?
The canonical SMILES for 4-(6,6-diethoxyhexyl)thiomorpholine is CCOC(CCCCCN1CCSCC1)OCC.
What is the InChIKey of 4-(6,6-diethoxyhexyl)thiomorpholine?
The InChIKey is NEVNEJJOGWNXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-3-16-14(17-4-2)8-6-5-7-9-15-10-12-18-13-11-15/h14H,3-13H2,1-2H3.
What are the key properties of 4-(6,6-diethoxyhexyl)thiomorpholine?
4-(6,6-diethoxyhexyl)thiomorpholine has a molecular weight of 275.46 g/mol, XLogP of 2.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-diethoxyhexyl)thiomorpholine is sourced from PubChem (CID 135081043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).