3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine

C16H25NO4S — CID 110740916

IUPAC3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
SMILESCCOc1cc(C)c(S(=O)(=O)N2C(C)OCC2(C)C)cc1C
InChIInChI=1S/C16H25NO4S/c1-7-20-14-8-12(3)15(9-11(14)2)22(18,19)17-13(4)21-10-16(17,5)6/h8-9,13H,7,10H2,1-6H3
InChIKeyBFGLJGLFBTYGLB-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine

3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 110740916) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
PubChem CID110740916
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
SMILESCCOc1cc(C)c(S(=O)(=O)N2C(C)OCC2(C)C)cc1C
InChIInChI=1S/C16H25NO4S/c1-7-20-14-8-12(3)15(9-11(14)2)22(18,19)17-13(4)21-10-16(17,5)6/h8-9,13H,7,10H2,1-6H3
InChIKeyBFGLJGLFBTYGLB-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739913
3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
CID 110740925
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740928
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369422
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane
CID 110739729
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 110708036
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 110292829
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine (CID 110740916) is 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine is CCOc1cc(C)c(S(=O)(=O)N2C(C)OCC2(C)C)cc1C.
What is the InChIKey of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is BFGLJGLFBTYGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-7-20-14-8-12(3)15(9-11(14)2)22(18,19)17-13(4)21-10-16(17,5)6/h8-9,13H,7,10H2,1-6H3.
What are the key properties of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 327.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 110740916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).