3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine

C14H21NO4S — CID 110740925

IUPAC3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
SMILESCCOc1ccc(S(=O)(=O)N2C(C)OCC2(C)C)cc1
InChIInChI=1S/C14H21NO4S/c1-5-18-12-6-8-13(9-7-12)20(16,17)15-11(2)19-10-14(15,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyYMDSIEWXQSJKGU-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.23
Rot. Bonds4

About 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine

3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 110740925) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
PubChem CID110740925
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
SMILESCCOc1ccc(S(=O)(=O)N2C(C)OCC2(C)C)cc1
InChIInChI=1S/C14H21NO4S/c1-5-18-12-6-8-13(9-7-12)20(16,17)15-11(2)19-10-14(15,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyYMDSIEWXQSJKGU-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine (CID 110740925) is 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine is CCOc1ccc(S(=O)(=O)N2C(C)OCC2(C)C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is YMDSIEWXQSJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-5-18-12-6-8-13(9-7-12)20(16,17)15-11(2)19-10-14(15,3)4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine?
3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 299.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 110740925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).