1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine

C15H23NO2S — CID 90164965

IUPAC1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine
SMILESCC(C)(C)c1ccccc1S(=O)(=O)N1CCC1(C)C
InChIInChI=1S/C15H23NO2S/c1-14(2,3)12-8-6-7-9-13(12)19(17,18)16-11-10-15(16,4)5/h6-9H,10-11H2,1-5H3
InChIKeyOCHAFWRQHKHFSA-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.16
Rot. Bonds2

About 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine

1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine (PubChem CID 90164965) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine
PubChem CID90164965
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine
SMILESCC(C)(C)c1ccccc1S(=O)(=O)N1CCC1(C)C
InChIInChI=1S/C15H23NO2S/c1-14(2,3)12-8-6-7-9-13(12)19(17,18)16-11-10-15(16,4)5/h6-9H,10-11H2,1-5H3
InChIKeyOCHAFWRQHKHFSA-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 63220011
2-tert-butyl-N-methylbenzenesulfonamide
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lithium 2-tert-butylbenzenesulfonate
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(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
[3-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 120777370
2,2-dimethyl-1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 90161756
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219170
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
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CID 55162313

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine?
The IUPAC name of 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine (CID 90164965) is 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine.
What is the SMILES notation for 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine?
The canonical SMILES for 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine is CC(C)(C)c1ccccc1S(=O)(=O)N1CCC1(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine?
The InChIKey is OCHAFWRQHKHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-14(2,3)12-8-6-7-9-13(12)19(17,18)16-11-10-15(16,4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine?
1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine has a molecular weight of 281.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)sulfonyl-2,2-dimethylazetidine is sourced from PubChem (CID 90164965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).