(2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone

C14H19NO2S — CID 6461618

IUPAC(2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H19NO2S/c1-10-8-15(9-11(2)17-10)14(16)12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCQFOBDRWVBGJEF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.66
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone

(2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone (PubChem CID 6461618) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone
PubChem CID6461618
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H19NO2S/c1-10-8-15(9-11(2)17-10)14(16)12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCQFOBDRWVBGJEF-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone (CID 6461618) is (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is CQFOBDRWVBGJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-8-15(9-11(2)17-10)14(16)12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone?
(2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 265.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 6461618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).