4-(2,2-diethoxyethyl)thiomorpholine

C10H21NO2S — CID 63617815

IUPAC4-(2,2-diethoxyethyl)thiomorpholine
SMILESCCOC(CN1CCSCC1)OCC
InChIInChI=1S/C10H21NO2S/c1-3-12-10(13-4-2)9-11-5-7-14-8-6-11/h10H,3-9H2,1-2H3
InChIKeySJKQFWJMCFEQHR-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.43
Rot. Bonds6

About 4-(2,2-diethoxyethyl)thiomorpholine

4-(2,2-diethoxyethyl)thiomorpholine (PubChem CID 63617815) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)thiomorpholine.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)thiomorpholine
PubChem CID63617815
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(2,2-diethoxyethyl)thiomorpholine
SMILESCCOC(CN1CCSCC1)OCC
InChIInChI=1S/C10H21NO2S/c1-3-12-10(13-4-2)9-11-5-7-14-8-6-11/h10H,3-9H2,1-2H3
InChIKeySJKQFWJMCFEQHR-UHFFFAOYSA-N
XLogP1.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.43
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)thiomorpholine?
The IUPAC name of 4-(2,2-diethoxyethyl)thiomorpholine (CID 63617815) is 4-(2,2-diethoxyethyl)thiomorpholine.
What is the SMILES notation for 4-(2,2-diethoxyethyl)thiomorpholine?
The canonical SMILES for 4-(2,2-diethoxyethyl)thiomorpholine is CCOC(CN1CCSCC1)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)thiomorpholine?
The InChIKey is SJKQFWJMCFEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-12-10(13-4-2)9-11-5-7-14-8-6-11/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethyl)thiomorpholine?
4-(2,2-diethoxyethyl)thiomorpholine has a molecular weight of 219.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)thiomorpholine is sourced from PubChem (CID 63617815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).