1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone

C13H20N4O5S — CID 20949851

IUPAC1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C13H20N4O5S/c18-13(16-1-5-21-6-2-16)10-15-9-12(14-11-15)23(19,20)17-3-7-22-8-4-17/h9,11H,1-8,10H2
InChIKeyKQMNSHHLSCRALM-UHFFFAOYSA-N
MW344.39 g/mol
LogP-1.24
Rot. Bonds4

About 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone

1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone (PubChem CID 20949851) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
PubChem CID20949851
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C13H20N4O5S/c18-13(16-1-5-21-6-2-16)10-15-9-12(14-11-15)23(19,20)17-3-7-22-8-4-17/h9,11H,1-8,10H2
InChIKeyKQMNSHHLSCRALM-UHFFFAOYSA-N
XLogP-1.24
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone (CID 20949851) is 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone is O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone?
The InChIKey is KQMNSHHLSCRALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c18-13(16-1-5-21-6-2-16)10-15-9-12(14-11-15)23(19,20)17-3-7-22-8-4-17/h9,11H,1-8,10H2.
What are the key properties of 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone?
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone has a molecular weight of 344.39 g/mol, XLogP of -1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone is sourced from PubChem (CID 20949851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).