(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine

C13H11NO3S — CID 10923301

IUPAC(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
SMILESO=S(=O)(c1ccccc1)N1O[C@@H]1c1ccccc1
InChIInChI=1S/C13H11NO3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13H/t13-,14?/m1/s1
InChIKeyMKHGVMIXRPGHOO-KWCCSABGSA-N
MW261.30 g/mol
LogP2.32
Rot. Bonds3

About (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine

(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine (PubChem CID 10923301) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine.

Molecular Properties

Compound Name(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
PubChem CID10923301
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
SMILESO=S(=O)(c1ccccc1)N1O[C@@H]1c1ccccc1
InChIInChI=1S/C13H11NO3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13H/t13-,14?/m1/s1
InChIKeyMKHGVMIXRPGHOO-KWCCSABGSA-N
XLogP2.32
TPSA49.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
[4-[2-(benzenesulfonyl)oxaziridin-3-yl]phenyl]-trimethylazanium
CID 19026267
2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine
CID 15184774
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 102339369
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
(4R)-4-bromo-5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazolidine
CID 102196509
(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine
CID 102045763
(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
CID 124813963
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane
CID 73228744
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine?
The IUPAC name of (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine (CID 10923301) is (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine.
What is the SMILES notation for (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine?
The canonical SMILES for (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine is O=S(=O)(c1ccccc1)N1O[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine?
The InChIKey is MKHGVMIXRPGHOO-KWCCSABGSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13H/t13-,14?/m1/s1.
What are the key properties of (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine?
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine has a molecular weight of 261.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(benzenesulfonyl)-3-phenyloxaziridine is sourced from PubChem (CID 10923301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).