(2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane

C15H20O3S — CID 102011145

IUPAC(2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane
SMILESCOC12CCC(CC1)C[C@H]2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O3S/c1-18-15-9-7-12(8-10-15)11-14(15)19(16,17)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12?,14-,15?/m1/s1
InChIKeyRPIWYXQMQSJSKN-HNFVBEJKSA-N
MW280.39 g/mol
LogP2.81
Rot. Bonds3

About (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane

(2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane (PubChem CID 102011145) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane
PubChem CID102011145
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name(2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane
SMILESCOC12CCC(CC1)C[C@H]2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O3S/c1-18-15-9-7-12(8-10-15)11-14(15)19(16,17)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12?,14-,15?/m1/s1
InChIKeyRPIWYXQMQSJSKN-HNFVBEJKSA-N
XLogP2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane?
The IUPAC name of (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane (CID 102011145) is (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane.
What is the SMILES notation for (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane?
The canonical SMILES for (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane is COC12CCC(CC1)C[C@H]2S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane?
The InChIKey is RPIWYXQMQSJSKN-HNFVBEJKSA-N. The full InChI is InChI=1S/C15H20O3S/c1-18-15-9-7-12(8-10-15)11-14(15)19(16,17)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12?,14-,15?/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane?
(2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane has a molecular weight of 280.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonyl)-1-methoxybicyclo[2.2.2]octane is sourced from PubChem (CID 102011145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).