4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C14H21NO5S — CID 3151803

IUPAC4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C14H21NO5S/c1-10-8-15(9-11(2)20-10)21(16,17)12-5-6-13(18-3)14(7-12)19-4/h5-7,10-11H,8-9H2,1-4H3
InChIKeyWPHIOHOVBVPDFR-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.50
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 3151803) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID3151803
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C14H21NO5S/c1-10-8-15(9-11(2)20-10)21(16,17)12-5-6-13(18-3)14(7-12)19-4/h5-7,10-11H,8-9H2,1-4H3
InChIKeyWPHIOHOVBVPDFR-UHFFFAOYSA-N
XLogP1.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 3151803) is 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is WPHIOHOVBVPDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-10-8-15(9-11(2)20-10)21(16,17)12-5-6-13(18-3)14(7-12)19-4/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 315.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 3151803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).