(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine

C15H23NO2S — CID 102355352

IUPAC(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
SMILESCCCCCC[C@H]1CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-5-6-7-14-12-16(14)19(17,18)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3/t14-,16?/m0/s1
InChIKeyCZLBWUFZIDRPQH-LBAUFKAWSA-N
MW281.42 g/mol
LogP3.34
Rot. Bonds7

About (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine

(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine (PubChem CID 102355352) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
PubChem CID102355352
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
SMILESCCCCCC[C@H]1CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-5-6-7-14-12-16(14)19(17,18)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3/t14-,16?/m0/s1
InChIKeyCZLBWUFZIDRPQH-LBAUFKAWSA-N
XLogP3.34
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
2-butyl-1-(4-methylphenyl)sulfonylaziridine;hex-1-ene
CID 157340233
2-(3-iodopropyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101168163
1-(4-methylphenyl)sulfonyl-2-tridecyl-4-tritylpiperazine
CID 11814383
2-hexyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride
CID 11121973
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole
CID 102384611
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonylaziridine
CID 102594700
2-(4-methylphenyl)sulfonyl-4-pentyl-2-azabicyclo[3.2.1]octane
CID 134851500
N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide
CID 102416695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine?
The IUPAC name of (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine (CID 102355352) is (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine.
What is the SMILES notation for (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine?
The canonical SMILES for (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine is CCCCCC[C@H]1CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine?
The InChIKey is CZLBWUFZIDRPQH-LBAUFKAWSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-5-6-7-14-12-16(14)19(17,18)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine?
(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine has a molecular weight of 281.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 102355352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).