2-ethylsulfonylmorpholine

C6H13NO3S — CID 117037136

IUPAC2-ethylsulfonylmorpholine
SMILESCCS(=O)(=O)C1CNCCO1
InChIInChI=1S/C6H13NO3S/c1-2-11(8,9)6-5-7-3-4-10-6/h6-7H,2-5H2,1H3
InChIKeyNMSAYSLEVGQNEV-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.63
Rot. Bonds2

About 2-ethylsulfonylmorpholine

2-ethylsulfonylmorpholine (PubChem CID 117037136) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-ethylsulfonylmorpholine.

Molecular Properties

Compound Name2-ethylsulfonylmorpholine
PubChem CID117037136
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-ethylsulfonylmorpholine
SMILESCCS(=O)(=O)C1CNCCO1
InChIInChI=1S/C6H13NO3S/c1-2-11(8,9)6-5-7-3-4-10-6/h6-7H,2-5H2,1H3
InChIKeyNMSAYSLEVGQNEV-UHFFFAOYSA-N
XLogP-0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylmorpholine?
The IUPAC name of 2-ethylsulfonylmorpholine (CID 117037136) is 2-ethylsulfonylmorpholine.
What is the SMILES notation for 2-ethylsulfonylmorpholine?
The canonical SMILES for 2-ethylsulfonylmorpholine is CCS(=O)(=O)C1CNCCO1.
What is the InChIKey of 2-ethylsulfonylmorpholine?
The InChIKey is NMSAYSLEVGQNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-11(8,9)6-5-7-3-4-10-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethylsulfonylmorpholine?
2-ethylsulfonylmorpholine has a molecular weight of 179.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylmorpholine is sourced from PubChem (CID 117037136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).