1-morpholin-4-yl-2-sulfonylethanone

C6H9NO4S — CID 150925586

IUPAC1-morpholin-4-yl-2-sulfonylethanone
SMILESO=C(C=S(=O)=O)N1CCOCC1
InChIInChI=1S/C6H9NO4S/c8-6(5-12(9)10)7-1-3-11-4-2-7/h5H,1-4H2
InChIKeyLEYKVPAPPTYKJH-UHFFFAOYSA-N
MW191.21 g/mol
LogP-1.47
Rot. Bonds1

About 1-morpholin-4-yl-2-sulfonylethanone

1-morpholin-4-yl-2-sulfonylethanone (PubChem CID 150925586) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-sulfonylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-sulfonylethanone
PubChem CID150925586
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name1-morpholin-4-yl-2-sulfonylethanone
SMILESO=C(C=S(=O)=O)N1CCOCC1
InChIInChI=1S/C6H9NO4S/c8-6(5-12(9)10)7-1-3-11-4-2-7/h5H,1-4H2
InChIKeyLEYKVPAPPTYKJH-UHFFFAOYSA-N
XLogP-1.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-sulfonylethanone?
The IUPAC name of 1-morpholin-4-yl-2-sulfonylethanone (CID 150925586) is 1-morpholin-4-yl-2-sulfonylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-sulfonylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-sulfonylethanone is O=C(C=S(=O)=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-sulfonylethanone?
The InChIKey is LEYKVPAPPTYKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4S/c8-6(5-12(9)10)7-1-3-11-4-2-7/h5H,1-4H2.
What are the key properties of 1-morpholin-4-yl-2-sulfonylethanone?
1-morpholin-4-yl-2-sulfonylethanone has a molecular weight of 191.21 g/mol, XLogP of -1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-sulfonylethanone is sourced from PubChem (CID 150925586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).