2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one

C14H20N4O2S — CID 72906340

IUPAC2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCSCC1
InChIInChI=1S/C14H20N4O2S/c19-13-9-12(16-3-1-2-4-16)10-15-18(13)11-14(20)17-5-7-21-8-6-17/h9-10H,1-8,11H2
InChIKeyATTPIRBENBAMNO-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.42
Rot. Bonds3

About 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72906340) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72906340
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCSCC1
InChIInChI=1S/C14H20N4O2S/c19-13-9-12(16-3-1-2-4-16)10-15-18(13)11-14(20)17-5-7-21-8-6-17/h9-10H,1-8,11H2
InChIKeyATTPIRBENBAMNO-UHFFFAOYSA-N
XLogP0.42
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 72906340) is 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCCC2)cc1=O)N1CCSCC1.
What is the InChIKey of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is ATTPIRBENBAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13-9-12(16-3-1-2-4-16)10-15-18(13)11-14(20)17-5-7-21-8-6-17/h9-10H,1-8,11H2.
What are the key properties of 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 308.41 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72906340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).