2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine

C15H21NO2S — CID 174367697

IUPAC2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine
SMILESCc1ccccc1S(=O)(=O)N1CC1C1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-12-7-5-6-10-15(12)19(17,18)16-11-14(16)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11H2,1H3
InChIKeyPAYLAYYGTJYVLZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.95
Rot. Bonds3

About 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine

2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine (PubChem CID 174367697) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine
PubChem CID174367697
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine
SMILESCc1ccccc1S(=O)(=O)N1CC1C1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-12-7-5-6-10-15(12)19(17,18)16-11-14(16)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11H2,1H3
InChIKeyPAYLAYYGTJYVLZ-UHFFFAOYSA-N
XLogP2.95
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.95
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

1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
CID 107070797
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
(2R)-1-(2-methylphenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502924
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
2-(3-bromopropyl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 80675411
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 47104020
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 78989322
2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine?
The IUPAC name of 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine (CID 174367697) is 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine is Cc1ccccc1S(=O)(=O)N1CC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine?
The InChIKey is PAYLAYYGTJYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-7-5-6-10-15(12)19(17,18)16-11-14(16)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine?
2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine has a molecular weight of 279.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 174367697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).