[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol

C10H13NO3S — CID 15202390

IUPAC[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]2CO)cc1
InChIInChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(11)7-12/h2-5,9,12H,6-7H2,1H3/t9-,11?/m1/s1
InChIKeyBDBQXGZJGMVTGC-BFHBGLAWSA-N
MW227.28 g/mol
LogP0.36
Rot. Bonds3

About [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol

[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol (PubChem CID 15202390) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
PubChem CID15202390
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]2CO)cc1
InChIInChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(11)7-12/h2-5,9,12H,6-7H2,1H3/t9-,11?/m1/s1
InChIKeyBDBQXGZJGMVTGC-BFHBGLAWSA-N
XLogP0.36
TPSA57.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
2-(3-iodopropyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101168163
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 134859032
(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonylaziridine
CID 102594700
(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
CID 102355352
(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
[(2S)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methyl benzoate
CID 11739039
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]methanol
CID 72743565
[(3S,5S)-5-but-3-enyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 102055849
[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 15707467
[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol?
The IUPAC name of [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol (CID 15202390) is [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2C[C@@H]2CO)cc1.
What is the InChIKey of [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol?
The InChIKey is BDBQXGZJGMVTGC-BFHBGLAWSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(11)7-12/h2-5,9,12H,6-7H2,1H3/t9-,11?/m1/s1.
What are the key properties of [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol?
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol has a molecular weight of 227.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol is sourced from PubChem (CID 15202390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).