4-ethylsulfonylmorpholine

C6H13NO3S — CID 4071453

IUPAC4-ethylsulfonylmorpholine
SMILESCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C6H13NO3S/c1-2-11(8,9)7-3-5-10-6-4-7/h2-6H2,1H3
InChIKeyVRLFSDPSKRPQTR-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.33
Rot. Bonds2

About 4-ethylsulfonylmorpholine

4-ethylsulfonylmorpholine (PubChem CID 4071453) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-ethylsulfonylmorpholine.

Molecular Properties

Compound Name4-ethylsulfonylmorpholine
PubChem CID4071453
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name4-ethylsulfonylmorpholine
SMILESCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C6H13NO3S/c1-2-11(8,9)7-3-5-10-6-4-7/h2-6H2,1H3
InChIKeyVRLFSDPSKRPQTR-UHFFFAOYSA-N
XLogP-0.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylmorpholine?
The IUPAC name of 4-ethylsulfonylmorpholine (CID 4071453) is 4-ethylsulfonylmorpholine.
What is the SMILES notation for 4-ethylsulfonylmorpholine?
The canonical SMILES for 4-ethylsulfonylmorpholine is CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethylsulfonylmorpholine?
The InChIKey is VRLFSDPSKRPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-11(8,9)7-3-5-10-6-4-7/h2-6H2,1H3.
What are the key properties of 4-ethylsulfonylmorpholine?
4-ethylsulfonylmorpholine has a molecular weight of 179.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylmorpholine is sourced from PubChem (CID 4071453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).