2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine

C14H17N3OS2 — CID 133379191

IUPAC2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
SMILESCSc1ccc(N2CC(C)OC(c3ccsc3)C2)nn1
InChIInChI=1S/C14H17N3OS2/c1-10-7-17(13-3-4-14(19-2)16-15-13)8-12(18-10)11-5-6-20-9-11/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyCHGIIYCCYZFPKH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.23
Rot. Bonds3

About 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine

2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine (PubChem CID 133379191) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
PubChem CID133379191
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
SMILESCSc1ccc(N2CC(C)OC(c3ccsc3)C2)nn1
InChIInChI=1S/C14H17N3OS2/c1-10-7-17(13-3-4-14(19-2)16-15-13)8-12(18-10)11-5-6-20-9-11/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyCHGIIYCCYZFPKH-UHFFFAOYSA-N
XLogP3.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine?
The IUPAC name of 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine (CID 133379191) is 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine?
The canonical SMILES for 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine is CSc1ccc(N2CC(C)OC(c3ccsc3)C2)nn1.
What is the InChIKey of 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine?
The InChIKey is CHGIIYCCYZFPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-10-7-17(13-3-4-14(19-2)16-15-13)8-12(18-10)11-5-6-20-9-11/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine?
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine has a molecular weight of 307.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133379191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).