4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine

C14H21NO3S — CID 898155

IUPAC4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H21NO3S/c1-10-9-11(2)13(4)14(12(10)3)19(16,17)15-5-7-18-8-6-15/h9H,5-8H2,1-4H3
InChIKeyZHFCRAZBBUROJT-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.94
Rot. Bonds2

About 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine

4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine (PubChem CID 898155) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
PubChem CID898155
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H21NO3S/c1-10-9-11(2)13(4)14(12(10)3)19(16,17)15-5-7-18-8-6-15/h9H,5-8H2,1-4H3
InChIKeyZHFCRAZBBUROJT-UHFFFAOYSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine (CID 898155) is 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCOCC2)c1C.
What is the InChIKey of 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
The InChIKey is ZHFCRAZBBUROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-9-11(2)13(4)14(12(10)3)19(16,17)15-5-7-18-8-6-15/h9H,5-8H2,1-4H3.
What are the key properties of 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine?
4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine has a molecular weight of 283.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 898155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).