4-propylsulfonylmorpholine

C7H15NO3S — CID 60643321

IUPAC4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-2-7-12(9,10)8-3-5-11-6-4-8/h2-7H2,1H3
InChIKeyOATXOVAHELKHRE-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds3

About 4-propylsulfonylmorpholine

4-propylsulfonylmorpholine (PubChem CID 60643321) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-propylsulfonylmorpholine.

Molecular Properties

Compound Name4-propylsulfonylmorpholine
PubChem CID60643321
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-2-7-12(9,10)8-3-5-11-6-4-8/h2-7H2,1H3
InChIKeyOATXOVAHELKHRE-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonylmorpholine?
The IUPAC name of 4-propylsulfonylmorpholine (CID 60643321) is 4-propylsulfonylmorpholine.
What is the SMILES notation for 4-propylsulfonylmorpholine?
The canonical SMILES for 4-propylsulfonylmorpholine is CCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-propylsulfonylmorpholine?
The InChIKey is OATXOVAHELKHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-7-12(9,10)8-3-5-11-6-4-8/h2-7H2,1H3.
What are the key properties of 4-propylsulfonylmorpholine?
4-propylsulfonylmorpholine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonylmorpholine is sourced from PubChem (CID 60643321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).