3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde

C9H16N2O5S — CID 91246691

IUPAC3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde
SMILESO=CN1CCOCC1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O5S/c12-8-10-1-4-16-7-9(10)17(13,14)11-2-5-15-6-3-11/h8-9H,1-7H2
InChIKeyQXPZWGKGVGTUCR-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.54
Rot. Bonds3

About 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde

3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde (PubChem CID 91246691) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde
PubChem CID91246691
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde
SMILESO=CN1CCOCC1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O5S/c12-8-10-1-4-16-7-9(10)17(13,14)11-2-5-15-6-3-11/h8-9H,1-7H2
InChIKeyQXPZWGKGVGTUCR-UHFFFAOYSA-N
XLogP-1.54
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde?
The IUPAC name of 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde (CID 91246691) is 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde.
What is the SMILES notation for 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde?
The canonical SMILES for 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde is O=CN1CCOCC1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde?
The InChIKey is QXPZWGKGVGTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c12-8-10-1-4-16-7-9(10)17(13,14)11-2-5-15-6-3-11/h8-9H,1-7H2.
What are the key properties of 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde?
3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde has a molecular weight of 264.30 g/mol, XLogP of -1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonylmorpholine-4-carbaldehyde is sourced from PubChem (CID 91246691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).