(1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol

C14H18O3S — CID 102466203

IUPAC(1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol
SMILESC[C@@H]1CC[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@]21O
InChIInChI=1S/C14H18O3S/c1-10-7-8-11-9-13(14(10,11)15)18(16,17)12-5-3-2-4-6-12/h2-6,10-11,13,15H,7-9H2,1H3/t10-,11+,13+,14-/m1/s1
InChIKeyQPGJDYHYDVSPLI-UVLXDEKHSA-N
MW266.36 g/mol
LogP2.01
Rot. Bonds2

About (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol

(1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol (PubChem CID 102466203) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol
PubChem CID102466203
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name(1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol
SMILESC[C@@H]1CC[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@]21O
InChIInChI=1S/C14H18O3S/c1-10-7-8-11-9-13(14(10,11)15)18(16,17)12-5-3-2-4-6-12/h2-6,10-11,13,15H,7-9H2,1H3/t10-,11+,13+,14-/m1/s1
InChIKeyQPGJDYHYDVSPLI-UVLXDEKHSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol?
The IUPAC name of (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol (CID 102466203) is (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol.
What is the SMILES notation for (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol?
The canonical SMILES for (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol is C[C@@H]1CC[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@]21O.
What is the InChIKey of (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol?
The InChIKey is QPGJDYHYDVSPLI-UVLXDEKHSA-N. The full InChI is InChI=1S/C14H18O3S/c1-10-7-8-11-9-13(14(10,11)15)18(16,17)12-5-3-2-4-6-12/h2-6,10-11,13,15H,7-9H2,1H3/t10-,11+,13+,14-/m1/s1.
What are the key properties of (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol?
(1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,7S)-7-(benzenesulfonyl)-2-methylbicyclo[3.2.0]heptan-1-ol is sourced from PubChem (CID 102466203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).