(1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one

C15H18O3S — CID 71442362

IUPAC(1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one
SMILESCc1cc(C)c(S(=O)(=O)[C@]23C[C@H]2CCC3=O)c(C)c1
InChIInChI=1S/C15H18O3S/c1-9-6-10(2)14(11(3)7-9)19(17,18)15-8-12(15)4-5-13(15)16/h6-7,12H,4-5,8H2,1-3H3/t12-,15-/m1/s1
InChIKeyKANCPFNQDOWHLL-IUODEOHRSA-N
MW278.37 g/mol
LogP2.51
Rot. Bonds2

About (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one

(1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one (PubChem CID 71442362) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one
PubChem CID71442362
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name(1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one
SMILESCc1cc(C)c(S(=O)(=O)[C@]23C[C@H]2CCC3=O)c(C)c1
InChIInChI=1S/C15H18O3S/c1-9-6-10(2)14(11(3)7-9)19(17,18)15-8-12(15)4-5-13(15)16/h6-7,12H,4-5,8H2,1-3H3/t12-,15-/m1/s1
InChIKeyKANCPFNQDOWHLL-IUODEOHRSA-N
XLogP2.51
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one 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 (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one (CID 71442362) is (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one is Cc1cc(C)c(S(=O)(=O)[C@]23C[C@H]2CCC3=O)c(C)c1.
What is the InChIKey of (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one?
The InChIKey is KANCPFNQDOWHLL-IUODEOHRSA-N. The full InChI is InChI=1S/C15H18O3S/c1-9-6-10(2)14(11(3)7-9)19(17,18)15-8-12(15)4-5-13(15)16/h6-7,12H,4-5,8H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one?
(1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one has a molecular weight of 278.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-(2,4,6-trimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 71442362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).