4-(diethoxymethyl)thiomorpholine

C9H19NO2S — CID 22167302

IUPAC4-(diethoxymethyl)thiomorpholine
SMILESCCOC(OCC)N1CCSCC1
InChIInChI=1S/C9H19NO2S/c1-3-11-9(12-4-2)10-5-7-13-8-6-10/h9H,3-8H2,1-2H3
InChIKeyWQQVHJNUPPZUPI-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.39
Rot. Bonds5

About 4-(diethoxymethyl)thiomorpholine

4-(diethoxymethyl)thiomorpholine (PubChem CID 22167302) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-(diethoxymethyl)thiomorpholine.

Molecular Properties

Compound Name4-(diethoxymethyl)thiomorpholine
PubChem CID22167302
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-(diethoxymethyl)thiomorpholine
SMILESCCOC(OCC)N1CCSCC1
InChIInChI=1S/C9H19NO2S/c1-3-11-9(12-4-2)10-5-7-13-8-6-10/h9H,3-8H2,1-2H3
InChIKeyWQQVHJNUPPZUPI-UHFFFAOYSA-N
XLogP1.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(diethoxymethyl)thiomorpholine?
The IUPAC name of 4-(diethoxymethyl)thiomorpholine (CID 22167302) is 4-(diethoxymethyl)thiomorpholine.
What is the SMILES notation for 4-(diethoxymethyl)thiomorpholine?
The canonical SMILES for 4-(diethoxymethyl)thiomorpholine is CCOC(OCC)N1CCSCC1.
What is the InChIKey of 4-(diethoxymethyl)thiomorpholine?
The InChIKey is WQQVHJNUPPZUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-11-9(12-4-2)10-5-7-13-8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)thiomorpholine?
4-(diethoxymethyl)thiomorpholine has a molecular weight of 205.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)thiomorpholine is sourced from PubChem (CID 22167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).