3-propylsulfonylmorpholine

C7H15NO3S — CID 54021187

IUPAC3-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)C1COCCN1
InChIInChI=1S/C7H15NO3S/c1-2-5-12(9,10)7-6-11-4-3-8-7/h7-8H,2-6H2,1H3
InChIKeyFYXNZMPGYAMDAE-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.24
Rot. Bonds3

About 3-propylsulfonylmorpholine

3-propylsulfonylmorpholine (PubChem CID 54021187) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-propylsulfonylmorpholine.

Molecular Properties

Compound Name3-propylsulfonylmorpholine
PubChem CID54021187
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)C1COCCN1
InChIInChI=1S/C7H15NO3S/c1-2-5-12(9,10)7-6-11-4-3-8-7/h7-8H,2-6H2,1H3
InChIKeyFYXNZMPGYAMDAE-UHFFFAOYSA-N
XLogP-0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propylsulfonylmorpholine?
The IUPAC name of 3-propylsulfonylmorpholine (CID 54021187) is 3-propylsulfonylmorpholine.
What is the SMILES notation for 3-propylsulfonylmorpholine?
The canonical SMILES for 3-propylsulfonylmorpholine is CCCS(=O)(=O)C1COCCN1.
What is the InChIKey of 3-propylsulfonylmorpholine?
The InChIKey is FYXNZMPGYAMDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-5-12(9,10)7-6-11-4-3-8-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-propylsulfonylmorpholine?
3-propylsulfonylmorpholine has a molecular weight of 193.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfonylmorpholine is sourced from PubChem (CID 54021187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).