2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine

C11H15NO2S — CID 11218386

IUPAC2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2C(C)C2C)cc1
InChIInChI=1S/C11H15NO2S/c1-8-4-6-11(7-5-8)15(13,14)12-9(2)10(12)3/h4-7,9-10H,1-3H3
InChIKeyRIWAOCZPZARVOZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.78
Rot. Bonds2

About 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine

2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine (PubChem CID 11218386) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
PubChem CID11218386
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2C(C)C2C)cc1
InChIInChI=1S/C11H15NO2S/c1-8-4-6-11(7-5-8)15(13,14)12-9(2)10(12)3/h4-7,9-10H,1-3H3
InChIKeyRIWAOCZPZARVOZ-UHFFFAOYSA-N
XLogP1.78
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 7173720
methyl 3-methyl-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 10849577
[3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]-phenylmethanone
CID 86089964
(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
CID 127259597
(1R,2S,4R,5S)-3-(4-methylphenyl)sulfonyl-3-azatricyclo[3.2.1.02,4]octane
CID 11076294
(1S,2R,4R,5R)-3-(4-methylphenyl)sulfonyl-3-azatricyclo[3.2.1.02,4]octane
CID 11471038
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
7-(4-methylphenyl)sulfonyl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hepta-2,5-diene
CID 134869418
1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone
CID 10937266

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine?
The IUPAC name of 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine (CID 11218386) is 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine.
What is the SMILES notation for 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine?
The canonical SMILES for 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine is Cc1ccc(S(=O)(=O)N2C(C)C2C)cc1.
What is the InChIKey of 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine?
The InChIKey is RIWAOCZPZARVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-4-6-11(7-5-8)15(13,14)12-9(2)10(12)3/h4-7,9-10H,1-3H3.
What are the key properties of 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine?
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine has a molecular weight of 225.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 11218386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).