4-(3,4-dimethoxyphenyl)sulfonylmorpholine

C12H17NO5S — CID 776862

IUPAC4-(3,4-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C12H17NO5S/c1-16-11-4-3-10(9-12(11)17-2)19(14,15)13-5-7-18-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyRRNFALSRKZKHHJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.72
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)sulfonylmorpholine

4-(3,4-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 776862) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)sulfonylmorpholine
PubChem CID776862
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name4-(3,4-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C12H17NO5S/c1-16-11-4-3-10(9-12(11)17-2)19(14,15)13-5-7-18-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyRRNFALSRKZKHHJ-UHFFFAOYSA-N
XLogP0.72
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.72
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)sulfonylmorpholine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonylmorpholine (CID 776862) is 4-(3,4-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is RRNFALSRKZKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-16-11-4-3-10(9-12(11)17-2)19(14,15)13-5-7-18-8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)sulfonylmorpholine?
4-(3,4-dimethoxyphenyl)sulfonylmorpholine has a molecular weight of 287.34 g/mol, XLogP of 0.72, 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)sulfonylmorpholine is sourced from PubChem (CID 776862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).