1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone

C10H19NO4S — CID 48521830

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)N1CCOCC1(C)C
InChIInChI=1S/C10H19NO4S/c1-4-16(13,14)7-9(12)11-5-6-15-8-10(11,2)3/h4-8H2,1-3H3
InChIKeyMIRJISSLYXXGQW-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.06
Rot. Bonds3

About 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone

1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone (PubChem CID 48521830) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone
PubChem CID48521830
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)N1CCOCC1(C)C
InChIInChI=1S/C10H19NO4S/c1-4-16(13,14)7-9(12)11-5-6-15-8-10(11,2)3/h4-8H2,1-3H3
InChIKeyMIRJISSLYXXGQW-UHFFFAOYSA-N
XLogP0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone (CID 48521830) is 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone is CCS(=O)(=O)CC(=O)N1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone?
The InChIKey is MIRJISSLYXXGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-16(13,14)7-9(12)11-5-6-15-8-10(11,2)3/h4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone?
1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone has a molecular weight of 249.33 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone is sourced from PubChem (CID 48521830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).