4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine

C13H19NO4S — CID 112507393

IUPAC4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1
InChIInChI=1S/C13H19NO4S/c1-13(2)10-18-9-8-14(13)19(15,16)12-6-4-11(17-3)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyMXIJXTLUAUUXTR-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.49
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine

4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine (PubChem CID 112507393) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
PubChem CID112507393
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1
InChIInChI=1S/C13H19NO4S/c1-13(2)10-18-9-8-14(13)19(15,16)12-6-4-11(17-3)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyMXIJXTLUAUUXTR-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507401
4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 47387477
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-methoxybenzamide
CID 146024510
1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 112507427
3,3-dimethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 154794697
[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090677
4-(4-methoxyphenyl)sulfonyl-8-sulfanyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 122605910
N-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352549
4-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-(trifluoromethyl)benzoic acid
CID 146132870
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzenecarbothioamide
CID 63289053
1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
CID 110421749
1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
CID 61428098

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine (CID 112507393) is 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
The InChIKey is MXIJXTLUAUUXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-13(2)10-18-9-8-14(13)19(15,16)12-6-4-11(17-3)5-7-12/h4-7H,8-10H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine has a molecular weight of 285.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine is sourced from PubChem (CID 112507393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).