4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine

C10H21NO4S2 — CID 66377707

IUPAC4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CC(OC)OC
InChIInChI=1S/C10H21NO4S2/c1-4-17(12,13)9-8-16-6-5-11(9)7-10(14-2)15-3/h9-10H,4-8H2,1-3H3
InChIKeyGBPKNGQTZVVVLM-UHFFFAOYSA-N
MW283.41 g/mol
LogP0.41
Rot. Bonds6

About 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine

4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66377707) has the molecular formula C10H21NO4S2 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine
PubChem CID66377707
Molecular FormulaC10H21NO4S2
Molecular Weight283.41 g/mol
Exact Mass283.09
IUPAC Name4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CC(OC)OC
InChIInChI=1S/C10H21NO4S2/c1-4-17(12,13)9-8-16-6-5-11(9)7-10(14-2)15-3/h9-10H,4-8H2,1-3H3
InChIKeyGBPKNGQTZVVVLM-UHFFFAOYSA-N
XLogP0.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 50.41
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-dimethoxyethyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine (CID 66377707) is 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1CC(OC)OC.
What is the InChIKey of 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is GBPKNGQTZVVVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S2/c1-4-17(12,13)9-8-16-6-5-11(9)7-10(14-2)15-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine?
4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 283.41 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66377707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).