(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine

C12H11NO4S — CID 102339369

IUPAC(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine
SMILESCc1ccc(S(=O)(=O)N2O[C@@H]2c2ccoc2)cc1
InChIInChI=1S/C12H11NO4S/c1-9-2-4-11(5-3-9)18(14,15)13-12(17-13)10-6-7-16-8-10/h2-8,12H,1H3/t12-,13?/m1/s1
InChIKeyHKOFZIXJPQMSNZ-PZORYLMUSA-N
MW265.29 g/mol
LogP2.22
Rot. Bonds3

About (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine

(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine (PubChem CID 102339369) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine.

Molecular Properties

Compound Name(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine
PubChem CID102339369
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine
SMILESCc1ccc(S(=O)(=O)N2O[C@@H]2c2ccoc2)cc1
InChIInChI=1S/C12H11NO4S/c1-9-2-4-11(5-3-9)18(14,15)13-12(17-13)10-6-7-16-8-10/h2-8,12H,1H3/t12-,13?/m1/s1
InChIKeyHKOFZIXJPQMSNZ-PZORYLMUSA-N
XLogP2.22
TPSA62.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500923
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
[4-[2-(benzenesulfonyl)oxaziridin-3-yl]phenyl]-trimethylazanium
CID 19026267
(4R)-4-bromo-5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazolidine
CID 102196509
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
N-(furan-3-ylmethyl)-2-(4-methylphenyl)sulfonylethanamine
CID 106512322
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine?
The IUPAC name of (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine (CID 102339369) is (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine.
What is the SMILES notation for (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine?
The canonical SMILES for (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine is Cc1ccc(S(=O)(=O)N2O[C@@H]2c2ccoc2)cc1.
What is the InChIKey of (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine?
The InChIKey is HKOFZIXJPQMSNZ-PZORYLMUSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-9-2-4-11(5-3-9)18(14,15)13-12(17-13)10-6-7-16-8-10/h2-8,12H,1H3/t12-,13?/m1/s1.
What are the key properties of (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine?
(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine has a molecular weight of 265.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine is sourced from PubChem (CID 102339369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).