4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine

C12H15NO4S — CID 71456296

IUPAC4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine
SMILESO=S(=O)([C@@H]1O[C@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO4S/c14-18(15,13-6-8-16-9-7-13)12-11(17-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m0/s1
InChIKeyQOWIBZMNMKXLQJ-RYUDHWBXSA-N
MW269.32 g/mol
LogP0.75
Rot. Bonds3

About 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine

4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine (PubChem CID 71456296) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine
PubChem CID71456296
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine
SMILESO=S(=O)([C@@H]1O[C@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO4S/c14-18(15,13-6-8-16-9-7-13)12-11(17-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m0/s1
InChIKeyQOWIBZMNMKXLQJ-RYUDHWBXSA-N
XLogP0.75
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine (CID 71456296) is 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine is O=S(=O)([C@@H]1O[C@H]1c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine?
The InChIKey is QOWIBZMNMKXLQJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-18(15,13-6-8-16-9-7-13)12-11(17-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m0/s1.
What are the key properties of 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine?
4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine has a molecular weight of 269.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine is sourced from PubChem (CID 71456296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).