4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine

C13H19NO4S — CID 1085553

IUPAC4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C
InChIInChI=1S/C13H19NO4S/c1-10-11(2)13(5-4-12(10)17-3)19(15,16)14-6-8-18-9-7-14/h4-5H,6-9H2,1-3H3
InChIKeyLTCRIUAYQVKADN-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.33
Rot. Bonds3

About 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine

4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine (PubChem CID 1085553) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine
PubChem CID1085553
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C
InChIInChI=1S/C13H19NO4S/c1-10-11(2)13(5-4-12(10)17-3)19(15,16)14-6-8-18-9-7-14/h4-5H,6-9H2,1-3H3
InChIKeyLTCRIUAYQVKADN-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine (CID 1085553) is 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine?
The InChIKey is LTCRIUAYQVKADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-11(2)13(5-4-12(10)17-3)19(15,16)14-6-8-18-9-7-14/h4-5H,6-9H2,1-3H3.
What are the key properties of 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine?
4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine has a molecular weight of 285.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 1085553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).