(1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol

C15H20O3S — CID 102466198

IUPAC(1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol
SMILESC[C@@H]1CCC[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@]21O
InChIInChI=1S/C15H20O3S/c1-11-6-5-7-12-10-14(15(11,12)16)19(17,18)13-8-3-2-4-9-13/h2-4,8-9,11-12,14,16H,5-7,10H2,1H3/t11-,12+,14+,15-/m1/s1
InChIKeyPGAYDLJDTWWZEJ-PAPYEOQZSA-N
MW280.39 g/mol
LogP2.40
Rot. Bonds2

About (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol

(1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol (PubChem CID 102466198) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol.

Molecular Properties

Compound Name(1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol
PubChem CID102466198
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name(1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol
SMILESC[C@@H]1CCC[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@]21O
InChIInChI=1S/C15H20O3S/c1-11-6-5-7-12-10-14(15(11,12)16)19(17,18)13-8-3-2-4-9-13/h2-4,8-9,11-12,14,16H,5-7,10H2,1H3/t11-,12+,14+,15-/m1/s1
InChIKeyPGAYDLJDTWWZEJ-PAPYEOQZSA-N
XLogP2.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol?
The IUPAC name of (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol (CID 102466198) is (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol.
What is the SMILES notation for (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol?
The canonical SMILES for (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol is C[C@@H]1CCC[C@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@]21O.
What is the InChIKey of (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol?
The InChIKey is PGAYDLJDTWWZEJ-PAPYEOQZSA-N. The full InChI is InChI=1S/C15H20O3S/c1-11-6-5-7-12-10-14(15(11,12)16)19(17,18)13-8-3-2-4-9-13/h2-4,8-9,11-12,14,16H,5-7,10H2,1H3/t11-,12+,14+,15-/m1/s1.
What are the key properties of (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol?
(1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,8S)-8-(benzenesulfonyl)-2-methylbicyclo[4.2.0]octan-1-ol is sourced from PubChem (CID 102466198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).