4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine

C13H19NO5S — CID 35290908

IUPAC4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C13H19NO5S/c1-10-8-11(17-2)12(18-3)9-13(10)20(15,16)14-4-6-19-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyIDPOWHNICKQBRO-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.03
Rot. Bonds4

About 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine

4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine (PubChem CID 35290908) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine
PubChem CID35290908
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C13H19NO5S/c1-10-8-11(17-2)12(18-3)9-13(10)20(15,16)14-4-6-19-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyIDPOWHNICKQBRO-UHFFFAOYSA-N
XLogP1.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895
4-(4-Methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 801472
4-(4-Methoxy-2,3-dimethylphenyl)sulfonylmorpholine
CID 1085553
4-[(3,4-Dimethoxyphenyl)sulfonyl]morpholine
CID 776862
4-[(2,5-Dimethyl-4-propoxyphenyl)sulfonyl]morpholine
CID 2221971
1-(4,5-Dimethoxy-2-methylphenyl)sulfonylpiperidine
CID 35287692
1-(4,5-Dimethoxy-2-methylphenyl)sulfonylazepane
CID 35287871
4-[(2-Fluoro-4,5-dimethoxyphenyl)sulfonyl]morpholine
CID 5301737
4-((5-Ethoxy-2,4-dimethylphenyl)sulfonyl)morpholine
CID 850000
(E)-3-(3,4-dimethoxy-5-(morpholinosulfonyl)phenyl)acrylic acid
CID 1336740
4-((3,4-Dimethoxyphenyl)sulfonyl)-2,6-dimethylmorpholine
CID 3151803
3-(Benzyloxy)-1-(3,4-dimethoxybenzenesulfonyl)azetidine
CID 53089740

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine (CID 35290908) is 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine is COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine?
The InChIKey is IDPOWHNICKQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10-8-11(17-2)12(18-3)9-13(10)20(15,16)14-4-6-19-7-5-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine?
4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine has a molecular weight of 301.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 35290908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).