4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine

C11H23NO4S2 — CID 66383573

IUPAC4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine
SMILESCCOC(CN1CCSCC1S(C)(=O)=O)OCC
InChIInChI=1S/C11H23NO4S2/c1-4-15-11(16-5-2)8-12-6-7-17-9-10(12)18(3,13)14/h10-11H,4-9H2,1-3H3
InChIKeyAEOMDGMIJZLYKL-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.81
Rot. Bonds7

About 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine

4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine (PubChem CID 66383573) has the molecular formula C11H23NO4S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine
PubChem CID66383573
Molecular FormulaC11H23NO4S2
Molecular Weight297.44 g/mol
Exact Mass297.11
IUPAC Name4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine
SMILESCCOC(CN1CCSCC1S(C)(=O)=O)OCC
InChIInChI=1S/C11H23NO4S2/c1-4-15-11(16-5-2)8-12-6-7-17-9-10(12)18(3,13)14/h10-11H,4-9H2,1-3H3
InChIKeyAEOMDGMIJZLYKL-UHFFFAOYSA-N
XLogP0.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine (CID 66383573) is 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine is CCOC(CN1CCSCC1S(C)(=O)=O)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine?
The InChIKey is AEOMDGMIJZLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S2/c1-4-15-11(16-5-2)8-12-6-7-17-9-10(12)18(3,13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine?
4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine has a molecular weight of 297.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 66383573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).