3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine

C14H21NO3S — CID 110740284

IUPAC3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
SMILESCC1OCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-11-15(9-10-18-11)19(16,17)13-7-5-12(6-8-13)14(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyFABZEWDCYJNFJB-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.35
Rot. Bonds2

About 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine

3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine (PubChem CID 110740284) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
PubChem CID110740284
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
SMILESCC1OCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-11-15(9-10-18-11)19(16,17)13-7-5-12(6-8-13)14(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyFABZEWDCYJNFJB-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740254
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
1-(4-tert-butylphenyl)sulfonylaziridine-2-carboxamide
CID 167345359
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
CID 134965346
(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine (CID 110740284) is 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine is CC1OCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
The InChIKey is FABZEWDCYJNFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-15(9-10-18-11)19(16,17)13-7-5-12(6-8-13)14(2,3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine?
3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine has a molecular weight of 283.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 110740284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).