4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine

C15H23NO4S — CID 3154510

IUPAC4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)c1C
InChIInChI=1S/C15H23NO4S/c1-10-8-16(9-11(2)20-10)21(17,18)15-7-6-14(19-5)12(3)13(15)4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyDROKIYIEIHVQEJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.11
Rot. Bonds3

About 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 3154510) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID3154510
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)c1C
InChIInChI=1S/C15H23NO4S/c1-10-8-16(9-11(2)20-10)21(17,18)15-7-6-14(19-5)12(3)13(15)4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyDROKIYIEIHVQEJ-UHFFFAOYSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 50876448
(2R,6S)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185850
(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185861
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845462
(2S,6R)-4-[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylnaphthalen-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 27151755
(E)-3-[3-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methoxyphenyl]prop-2-enoic acid
CID 16642404

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 3154510) is 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is DROKIYIEIHVQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10-8-16(9-11(2)20-10)21(17,18)15-7-6-14(19-5)12(3)13(15)4/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 313.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 3154510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).