(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide

C11H12O3S2 — CID 10706239

IUPAC(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide
SMILESO=S1CCCS(=O)C12O[C@@H]2c1ccccc1
InChIInChI=1S/C11H12O3S2/c12-15-7-4-8-16(13)11(15)10(14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2/t10-,11?,15?,16?/m1/s1
InChIKeyIGZHDQTUPWSEOY-NYEVEFJDSA-N
MW256.35 g/mol
LogP1.31
Rot. Bonds1

About (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide

(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide (PubChem CID 10706239) has the molecular formula C11H12O3S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide.

Molecular Properties

Compound Name(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide
PubChem CID10706239
Molecular FormulaC11H12O3S2
Molecular Weight256.35 g/mol
Exact Mass256.02
IUPAC Name(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide
SMILESO=S1CCCS(=O)C12O[C@@H]2c1ccccc1
InChIInChI=1S/C11H12O3S2/c12-15-7-4-8-16(13)11(15)10(14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2/t10-,11?,15?,16?/m1/s1
InChIKeyIGZHDQTUPWSEOY-NYEVEFJDSA-N
XLogP1.31
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.31
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

(2R,4R,8R)-2-(4-chlorophenyl)-1-oxa-4lambda4,8lambda4-dithiaspiro[2.5]octane 4,8-dioxide
CID 10589628
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
CID 101101880
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
(2R,4S)-4-phenyl-1,3,2-dioxathiolane 2-oxide
CID 10921184
2-phenyl-1,3-dithiepane 1-oxide
CID 102414340
2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
CID 132501821
1-(2-acetyl-3-phenyloxiran-2-yl)ethanone
CID 75183920
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
CID 139617656
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
2-phenyloxirane
CID 7276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide?
The IUPAC name of (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide (CID 10706239) is (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide.
What is the SMILES notation for (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide?
The canonical SMILES for (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide is O=S1CCCS(=O)C12O[C@@H]2c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide?
The InChIKey is IGZHDQTUPWSEOY-NYEVEFJDSA-N. The full InChI is InChI=1S/C11H12O3S2/c12-15-7-4-8-16(13)11(15)10(14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2/t10-,11?,15?,16?/m1/s1.
What are the key properties of (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide?
(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide has a molecular weight of 256.35 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide is sourced from PubChem (CID 10706239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).