(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

C11H17NO2S — CID 154841528

IUPAC(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCCS(=O)(=O)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1
InChIInChI=1S/C11H17NO2S/c1-2-15(13,14)12-6-10-8-3-4-9(5-8)11(10)7-12/h3-4,8-11H,2,5-7H2,1H3/t8?,9?,10-,11+
InChIKeyCTJNMXAYUUCOIL-HWACXVBKSA-N
MW227.33 g/mol
LogP1.09
Rot. Bonds2

About (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 154841528) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID154841528
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCCS(=O)(=O)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1
InChIInChI=1S/C11H17NO2S/c1-2-15(13,14)12-6-10-8-3-4-9(5-8)11(10)7-12/h3-4,8-11H,2,5-7H2,1H3/t8?,9?,10-,11+
InChIKeyCTJNMXAYUUCOIL-HWACXVBKSA-N
XLogP1.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 154841528) is (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is CCS(=O)(=O)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1.
What is the InChIKey of (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is CTJNMXAYUUCOIL-HWACXVBKSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-15(13,14)12-6-10-8-3-4-9(5-8)11(10)7-12/h3-4,8-11H,2,5-7H2,1H3/t8?,9?,10-,11+.
What are the key properties of (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 227.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 154841528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).