4-(2,4-dimethylphenyl)sulfonylmorpholine

C12H17NO3S — CID 786090

IUPAC4-(2,4-dimethylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C12H17NO3S/c1-10-3-4-12(11(2)9-10)17(14,15)13-5-7-16-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyVLKMCVZRCMSJJG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.32
Rot. Bonds2

About 4-(2,4-dimethylphenyl)sulfonylmorpholine

4-(2,4-dimethylphenyl)sulfonylmorpholine (PubChem CID 786090) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfonylmorpholine
PubChem CID786090
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-(2,4-dimethylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C12H17NO3S/c1-10-3-4-12(11(2)9-10)17(14,15)13-5-7-16-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyVLKMCVZRCMSJJG-UHFFFAOYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfonylmorpholine (CID 786090) is 4-(2,4-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfonylmorpholine?
The InChIKey is VLKMCVZRCMSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-3-4-12(11(2)9-10)17(14,15)13-5-7-16-8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfonylmorpholine?
4-(2,4-dimethylphenyl)sulfonylmorpholine has a molecular weight of 255.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 786090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).