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

C17H19NO2S — CID 134927022

IUPAC2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2CC2(C)c2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-8-10-15(11-9-13)21(19,20)18-12-17(18,3)16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3
InChIKeyMGFWHGLXPANYST-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.22
Rot. Bonds3

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

2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine (PubChem CID 134927022) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
PubChem CID134927022
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2CC2(C)c2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-8-10-15(11-9-13)21(19,20)18-12-17(18,3)16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3
InChIKeyMGFWHGLXPANYST-UHFFFAOYSA-N
XLogP3.22
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.22
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

2,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 164678390
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
(1R,5R,12S,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511082
(1R,5S,12R,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511083
1,6-dimethyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.2.0]octane
CID 90482026
1-[2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanone
CID 134896821
2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine
CID 82251742
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
4-methylidene-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydronaphthalene-3,2'-aziridine]
CID 15544069
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylselanyl-2H-indole
CID 102407362
6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine
CID 15440132
1-(4-methylphenyl)sulfonyl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 132595782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine?
The IUPAC name of 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine (CID 134927022) is 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine.
What is the SMILES notation for 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine?
The canonical SMILES for 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine is Cc1ccc(S(=O)(=O)N2CC2(C)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine?
The InChIKey is MGFWHGLXPANYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-8-10-15(11-9-13)21(19,20)18-12-17(18,3)16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine?
2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine has a molecular weight of 301.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 134927022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).