[(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate

C12H18O6S2 — CID 125028693

IUPAC[(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1[C@H]2C[C@@H]3[C@H]4C[C@H]2[C@@H]([C@@H]4OS(C)(=O)=O)[C@H]31
InChIInChI=1S/C12H18O6S2/c1-19(13,14)17-11-7-3-6-8-4-5(7)10(9(6)11)12(8)18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
InChIKeyURPSAOJPGIYZCX-JGZJKUPSSA-N
MW322.40 g/mol
LogP0.21
Rot. Bonds4

About [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate

[(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate (PubChem CID 125028693) has the molecular formula C12H18O6S2 and a molecular weight of 322.40 g/mol. Its IUPAC name is [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate.

Molecular Properties

Compound Name[(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate
PubChem CID125028693
Molecular FormulaC12H18O6S2
Molecular Weight322.40 g/mol
Exact Mass322.05
IUPAC Name[(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1[C@H]2C[C@@H]3[C@H]4C[C@H]2[C@@H]([C@@H]4OS(C)(=O)=O)[C@H]31
InChIInChI=1S/C12H18O6S2/c1-19(13,14)17-11-7-3-6-8-4-5(7)10(9(6)11)12(8)18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
InChIKeyURPSAOJPGIYZCX-JGZJKUPSSA-N
XLogP0.21
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate 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 [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate?
The IUPAC name of [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate (CID 125028693) is [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate.
What is the SMILES notation for [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate?
The canonical SMILES for [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate is CS(=O)(=O)O[C@@H]1[C@H]2C[C@@H]3[C@H]4C[C@H]2[C@@H]([C@@H]4OS(C)(=O)=O)[C@H]31.
What is the InChIKey of [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate?
The InChIKey is URPSAOJPGIYZCX-JGZJKUPSSA-N. The full InChI is InChI=1S/C12H18O6S2/c1-19(13,14)17-11-7-3-6-8-4-5(7)10(9(6)11)12(8)18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8+,9-,10+,11-,12-/m1/s1.
What are the key properties of [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate?
[(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate has a molecular weight of 322.40 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate is sourced from PubChem (CID 125028693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).