(1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide

C8H11NO2S — CID 101099496

IUPAC(1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide
SMILESO=S1(=O)NC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C8H11NO2S/c10-12(11)8-6-2-1-5(3-6)7(8)4-9-12/h1-2,5-9H,3-4H2/t5-,6+,7-,8+/m1/s1
InChIKeyFPSQJUOJARBPFA-CWKFCGSDSA-N
MW185.25 g/mol
LogP0.11
Rot. Bonds

About (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide

(1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide (PubChem CID 101099496) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide.

Molecular Properties

Compound Name(1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide
PubChem CID101099496
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide
SMILESO=S1(=O)NC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C8H11NO2S/c10-12(11)8-6-2-1-5(3-6)7(8)4-9-12/h1-2,5-9H,3-4H2/t5-,6+,7-,8+/m1/s1
InChIKeyFPSQJUOJARBPFA-CWKFCGSDSA-N
XLogP0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide?
The IUPAC name of (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide (CID 101099496) is (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide.
What is the SMILES notation for (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide?
The canonical SMILES for (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide is O=S1(=O)NC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide?
The InChIKey is FPSQJUOJARBPFA-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-12(11)8-6-2-1-5(3-6)7(8)4-9-12/h1-2,5-9H,3-4H2/t5-,6+,7-,8+/m1/s1.
What are the key properties of (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide?
(1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide has a molecular weight of 185.25 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7S)-3λ6-thia-4-azatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide is sourced from PubChem (CID 101099496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).