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

C14H21NO4S — CID 110739729

IUPAC3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCOC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-4-19-13-8-12(3)14(9-11(13)2)20(16,17)15-6-5-7-18-10-15/h8-9H,4-7,10H2,1-3H3
InChIKeyKQGYRORHQLQECD-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.07
Rot. Bonds4

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

3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane (PubChem CID 110739729) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane.

Molecular Properties

Compound Name3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane
PubChem CID110739729
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCOC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-4-19-13-8-12(3)14(9-11(13)2)20(16,17)15-6-5-7-18-10-15/h8-9H,4-7,10H2,1-3H3
InChIKeyKQGYRORHQLQECD-UHFFFAOYSA-N
XLogP2.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.07
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
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872718
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 110708036
3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
CID 110739698
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
CID 110740916
ethyl 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116381

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane?
The IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane (CID 110739729) is 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane.
What is the SMILES notation for 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane?
The canonical SMILES for 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane is CCOc1cc(C)c(S(=O)(=O)N2CCCOC2)cc1C.
What is the InChIKey of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane?
The InChIKey is KQGYRORHQLQECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-19-13-8-12(3)14(9-11(13)2)20(16,17)15-6-5-7-18-10-15/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane?
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane has a molecular weight of 299.39 g/mol, XLogP of 2.07, 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-1,3-oxazinane is sourced from PubChem (CID 110739729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).