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

C15H23NO4S — CID 110739913

IUPAC3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCOC2C)cc1C
InChIInChI=1S/C15H23NO4S/c1-5-19-14-9-12(3)15(10-11(14)2)21(17,18)16-7-6-8-20-13(16)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBVIDOJGCKPCUQV-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.46
Rot. Bonds4

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

3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane (PubChem CID 110739913) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane.

Molecular Properties

Compound Name3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane
PubChem CID110739913
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCOC2C)cc1C
InChIInChI=1S/C15H23NO4S/c1-5-19-14-9-12(3)15(10-11(14)2)21(17,18)16-7-6-8-20-13(16)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBVIDOJGCKPCUQV-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane
CID 110739729
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
CID 110740916
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
3-(4-fluoro-2-methylphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739875
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
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 110708036
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane?
The IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane (CID 110739913) is 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane.
What is the SMILES notation for 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane?
The canonical SMILES for 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane is CCOc1cc(C)c(S(=O)(=O)N2CCCOC2C)cc1C.
What is the InChIKey of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane?
The InChIKey is BVIDOJGCKPCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-19-14-9-12(3)15(10-11(14)2)21(17,18)16-7-6-8-20-13(16)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane?
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methyl-1,3-oxazinane has a molecular weight of 313.42 g/mol, XLogP of 2.46, 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-methyl-1,3-oxazinane is sourced from PubChem (CID 110739913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).