1-(2-ethyl-4-methylphenyl)sulfonylaziridine

C11H15NO2S — CID 175060247

IUPAC1-(2-ethyl-4-methylphenyl)sulfonylaziridine
SMILESCCc1cc(C)ccc1S(=O)(=O)N1CC1
InChIInChI=1S/C11H15NO2S/c1-3-10-8-9(2)4-5-11(10)15(13,14)12-6-7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLJBJDQRESMVJRD-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.56
Rot. Bonds3

About 1-(2-ethyl-4-methylphenyl)sulfonylaziridine

1-(2-ethyl-4-methylphenyl)sulfonylaziridine (PubChem CID 175060247) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name1-(2-ethyl-4-methylphenyl)sulfonylaziridine
PubChem CID175060247
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(2-ethyl-4-methylphenyl)sulfonylaziridine
SMILESCCc1cc(C)ccc1S(=O)(=O)N1CC1
InChIInChI=1S/C11H15NO2S/c1-3-10-8-9(2)4-5-11(10)15(13,14)12-6-7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLJBJDQRESMVJRD-UHFFFAOYSA-N
XLogP1.56
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.56
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

1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine
CID 62733884
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
ethyl 4-(2-bromo-4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 55565612
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705351
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
5-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylaniline
CID 61138407
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone
CID 8857020

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylphenyl)sulfonylaziridine?
The IUPAC name of 1-(2-ethyl-4-methylphenyl)sulfonylaziridine (CID 175060247) is 1-(2-ethyl-4-methylphenyl)sulfonylaziridine.
What is the SMILES notation for 1-(2-ethyl-4-methylphenyl)sulfonylaziridine?
The canonical SMILES for 1-(2-ethyl-4-methylphenyl)sulfonylaziridine is CCc1cc(C)ccc1S(=O)(=O)N1CC1.
What is the InChIKey of 1-(2-ethyl-4-methylphenyl)sulfonylaziridine?
The InChIKey is LJBJDQRESMVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-10-8-9(2)4-5-11(10)15(13,14)12-6-7-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-ethyl-4-methylphenyl)sulfonylaziridine?
1-(2-ethyl-4-methylphenyl)sulfonylaziridine has a molecular weight of 225.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 175060247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).