2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine

C13H19NO3S — CID 2832225

IUPAC2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-4-6-13(7-5-10)18(15,16)14-8-11(2)17-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3
InChIKeyFQDURWFHQIUQOS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.79
Rot. Bonds2

About 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine

2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 2832225) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID2832225
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-4-6-13(7-5-10)18(15,16)14-8-11(2)17-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3
InChIKeyFQDURWFHQIUQOS-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine (CID 2832225) is 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is FQDURWFHQIUQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-4-6-13(7-5-10)18(15,16)14-8-11(2)17-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine?
2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 2832225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).