2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide

C14H20N2O2S — CID 3239041

IUPAC2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide
SMILESCSc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-8-16(9-11(2)18-10)14(17)15-12-4-6-13(19-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)
InChIKeyKTIVUSOUUVLKKW-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.05
Rot. Bonds2

About 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide

2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide (PubChem CID 3239041) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide
PubChem CID3239041
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide
SMILESCSc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-8-16(9-11(2)18-10)14(17)15-12-4-6-13(19-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)
InChIKeyKTIVUSOUUVLKKW-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide (CID 3239041) is 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide is CSc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide?
The InChIKey is KTIVUSOUUVLKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-8-16(9-11(2)18-10)14(17)15-12-4-6-13(19-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide?
2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4-methylsulfanylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 3239041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).