4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine

C15H23NO3S — CID 135032684

IUPAC4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCC1COC(C(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-13-10-19-15(11(2)3)16(13)20(17,18)14-8-6-12(4)7-9-14/h6-9,11,13,15H,5,10H2,1-4H3
InChIKeyBUQYYOQMJPNCCN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.78
Rot. Bonds4

About 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine

4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine (PubChem CID 135032684) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine
PubChem CID135032684
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCC1COC(C(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-13-10-19-15(11(2)3)16(13)20(17,18)14-8-6-12(4)7-9-14/h6-9,11,13,15H,5,10H2,1-4H3
InChIKeyBUQYYOQMJPNCCN-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine (CID 135032684) is 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine is CCC1COC(C(C)C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine?
The InChIKey is BUQYYOQMJPNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-13-10-19-15(11(2)3)16(13)20(17,18)14-8-6-12(4)7-9-14/h6-9,11,13,15H,5,10H2,1-4H3.
What are the key properties of 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine?
4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine has a molecular weight of 297.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 135032684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).