3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine

C11H15NO3S — CID 110740045

IUPAC3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CCOC2)c(C)c1
InChIInChI=1S/C11H15NO3S/c1-9-3-4-11(10(2)7-9)16(13,14)12-5-6-15-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyBKGFEJUZKLPHOU-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.28
Rot. Bonds2

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

3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine (PubChem CID 110740045) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
PubChem CID110740045
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CCOC2)c(C)c1
InChIInChI=1S/C11H15NO3S/c1-9-3-4-11(10(2)7-9)16(13,14)12-5-6-15-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyBKGFEJUZKLPHOU-UHFFFAOYSA-N
XLogP1.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 110721585
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4-(1,4,7-dioxazonan-7-ylsulfonyl)-3-methylbenzoic acid
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1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
4-[4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylmorpholine
CID 91759027
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazepane
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine (CID 110740045) is 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine is Cc1ccc(S(=O)(=O)N2CCOC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is BKGFEJUZKLPHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9-3-4-11(10(2)7-9)16(13,14)12-5-6-15-8-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine?
3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 241.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).