2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one

C14H20N4O2S2 — CID 53371030

IUPAC2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one
SMILESO=C(Cn1nc(N2CCSCC2)ccc1=O)N1CCSCC1
InChIInChI=1S/C14H20N4O2S2/c19-13-2-1-12(16-3-7-21-8-4-16)15-18(13)11-14(20)17-5-9-22-10-6-17/h1-2H,3-11H2
InChIKeyNCCXSGPPWHUUNV-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.37
Rot. Bonds3

About 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one

2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one (PubChem CID 53371030) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one
PubChem CID53371030
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one
SMILESO=C(Cn1nc(N2CCSCC2)ccc1=O)N1CCSCC1
InChIInChI=1S/C14H20N4O2S2/c19-13-2-1-12(16-3-7-21-8-4-16)15-18(13)11-14(20)17-5-9-22-10-6-17/h1-2H,3-11H2
InChIKeyNCCXSGPPWHUUNV-UHFFFAOYSA-N
XLogP0.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one (CID 53371030) is 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one is O=C(Cn1nc(N2CCSCC2)ccc1=O)N1CCSCC1.
What is the InChIKey of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one?
The InChIKey is NCCXSGPPWHUUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c19-13-2-1-12(16-3-7-21-8-4-16)15-18(13)11-14(20)17-5-9-22-10-6-17/h1-2H,3-11H2.
What are the key properties of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one?
2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one has a molecular weight of 340.47 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 53371030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).