4-(2,2-diethoxyethyl)-2-ethylthiomorpholine

C12H25NO2S — CID 104696561

IUPAC4-(2,2-diethoxyethyl)-2-ethylthiomorpholine
SMILESCCOC(CN1CCSC(CC)C1)OCC
InChIInChI=1S/C12H25NO2S/c1-4-11-9-13(7-8-16-11)10-12(14-5-2)15-6-3/h11-12H,4-10H2,1-3H3
InChIKeyAHIYWDUKWDAMAR-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.21
Rot. Bonds7

About 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine

4-(2,2-diethoxyethyl)-2-ethylthiomorpholine (PubChem CID 104696561) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)-2-ethylthiomorpholine
PubChem CID104696561
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-(2,2-diethoxyethyl)-2-ethylthiomorpholine
SMILESCCOC(CN1CCSC(CC)C1)OCC
InChIInChI=1S/C12H25NO2S/c1-4-11-9-13(7-8-16-11)10-12(14-5-2)15-6-3/h11-12H,4-10H2,1-3H3
InChIKeyAHIYWDUKWDAMAR-UHFFFAOYSA-N
XLogP2.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine?
The IUPAC name of 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine (CID 104696561) is 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine.
What is the SMILES notation for 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine?
The canonical SMILES for 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine is CCOC(CN1CCSC(CC)C1)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine?
The InChIKey is AHIYWDUKWDAMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-11-9-13(7-8-16-11)10-12(14-5-2)15-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine?
4-(2,2-diethoxyethyl)-2-ethylthiomorpholine has a molecular weight of 247.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)-2-ethylthiomorpholine is sourced from PubChem (CID 104696561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).