(1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide

C18H18O4S — CID 10616425

IUPAC(1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide
SMILESO=S1(=O)C[C@@]2(c3ccccc3)CC[C@@](c3ccccc3)(C1)OO2
InChIInChI=1S/C18H18O4S/c19-23(20)13-17(15-7-3-1-4-8-15)11-12-18(14-23,22-21-17)16-9-5-2-6-10-16/h1-10H,11-14H2/t17-,18+
InChIKeyIGVSZUXDYWUIMS-HDICACEKSA-N
MW330.40 g/mol
LogP2.95
Rot. Bonds2

About (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide

(1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide (PubChem CID 10616425) has the molecular formula C18H18O4S and a molecular weight of 330.40 g/mol. Its IUPAC name is (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide.

Molecular Properties

Compound Name(1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide
PubChem CID10616425
Molecular FormulaC18H18O4S
Molecular Weight330.40 g/mol
Exact Mass330.09
IUPAC Name(1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide
SMILESO=S1(=O)C[C@@]2(c3ccccc3)CC[C@@](c3ccccc3)(C1)OO2
InChIInChI=1S/C18H18O4S/c19-23(20)13-17(15-7-3-1-4-8-15)11-12-18(14-23,22-21-17)16-9-5-2-6-10-16/h1-10H,11-14H2/t17-,18+
InChIKeyIGVSZUXDYWUIMS-HDICACEKSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide with MolForge

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Related Compounds

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CID 98554881
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CID 90482706
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CID 95565052
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CID 611743
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CID 157161478
5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane
CID 12565443
4-(1-phenylcyclopentyl)piperidine
CID 83911457
4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide
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CID 11008055

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide?
The IUPAC name of (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide (CID 10616425) is (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide.
What is the SMILES notation for (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide?
The canonical SMILES for (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide is O=S1(=O)C[C@@]2(c3ccccc3)CC[C@@](c3ccccc3)(C1)OO2.
What is the InChIKey of (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide?
The InChIKey is IGVSZUXDYWUIMS-HDICACEKSA-N. The full InChI is InChI=1S/C18H18O4S/c19-23(20)13-17(15-7-3-1-4-8-15)11-12-18(14-23,22-21-17)16-9-5-2-6-10-16/h1-10H,11-14H2/t17-,18+.
What are the key properties of (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide?
(1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide has a molecular weight of 330.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide is sourced from PubChem (CID 10616425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).