1-(2-methylphenyl)sulfonylaziridine

C9H11NO2S — CID 22214975

IUPAC1-(2-methylphenyl)sulfonylaziridine
SMILESCc1ccccc1S(=O)(=O)N1CC1
InChIInChI=1S/C9H11NO2S/c1-8-4-2-3-5-9(8)13(11,12)10-6-7-10/h2-5H,6-7H2,1H3
InChIKeyCNSUHQGEKHGETE-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.00
Rot. Bonds2

About 1-(2-methylphenyl)sulfonylaziridine

1-(2-methylphenyl)sulfonylaziridine (PubChem CID 22214975) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonylaziridine
PubChem CID22214975
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-(2-methylphenyl)sulfonylaziridine
SMILESCc1ccccc1S(=O)(=O)N1CC1
InChIInChI=1S/C9H11NO2S/c1-8-4-2-3-5-9(8)13(11,12)10-6-7-10/h2-5H,6-7H2,1H3
InChIKeyCNSUHQGEKHGETE-UHFFFAOYSA-N
XLogP1.00
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.00
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-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 122651374

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonylaziridine?
The IUPAC name of 1-(2-methylphenyl)sulfonylaziridine (CID 22214975) is 1-(2-methylphenyl)sulfonylaziridine.
What is the SMILES notation for 1-(2-methylphenyl)sulfonylaziridine?
The canonical SMILES for 1-(2-methylphenyl)sulfonylaziridine is Cc1ccccc1S(=O)(=O)N1CC1.
What is the InChIKey of 1-(2-methylphenyl)sulfonylaziridine?
The InChIKey is CNSUHQGEKHGETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-8-4-2-3-5-9(8)13(11,12)10-6-7-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-methylphenyl)sulfonylaziridine?
1-(2-methylphenyl)sulfonylaziridine has a molecular weight of 197.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 22214975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).