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

C13H19NO3S — CID 110740928

IUPAC2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESCc1ccccc1S(=O)(=O)N1C(C)OCC1(C)C
InChIInChI=1S/C13H19NO3S/c1-10-7-5-6-8-12(10)18(15,16)14-11(2)17-9-13(14,3)4/h5-8,11H,9H2,1-4H3
InChIKeyTZXDLQZEDZPSMV-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.14
Rot. Bonds2

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

2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine (PubChem CID 110740928) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine
PubChem CID110740928
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESCc1ccccc1S(=O)(=O)N1C(C)OCC1(C)C
InChIInChI=1S/C13H19NO3S/c1-10-7-5-6-8-12(10)18(15,16)14-11(2)17-9-13(14,3)4/h5-8,11H,9H2,1-4H3
InChIKeyTZXDLQZEDZPSMV-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
CID 110740916
2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110368983
3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 110740904
2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine
CID 110740910
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
3-[(4-fluorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 110740903
3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 110740905
6-methyl-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122083292
3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 110423892
[5-methyl-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582154

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine (CID 110740928) is 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine is Cc1ccccc1S(=O)(=O)N1C(C)OCC1(C)C.
What is the InChIKey of 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is TZXDLQZEDZPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-7-5-6-8-12(10)18(15,16)14-11(2)17-9-13(14,3)4/h5-8,11H,9H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine?
2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 269.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).