(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane

C12H16O3S — CID 100944559

IUPAC(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane
SMILESC[C@H]1C[C@H](S(=O)(=O)c2ccccc2)[C@@H](C)O1
InChIInChI=1S/C12H16O3S/c1-9-8-12(10(2)15-9)16(13,14)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyKZMBYGBFWLBGJT-UMNHJUIQSA-N
MW240.32 g/mol
LogP2.03
Rot. Bonds2

About (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane

(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane (PubChem CID 100944559) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane.

Molecular Properties

Compound Name(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane
PubChem CID100944559
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane
SMILESC[C@H]1C[C@H](S(=O)(=O)c2ccccc2)[C@@H](C)O1
InChIInChI=1S/C12H16O3S/c1-9-8-12(10(2)15-9)16(13,14)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyKZMBYGBFWLBGJT-UMNHJUIQSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
2-Ethoxyethylsulfonylbenzene
CID 44377531
2-(Phenylthio)tetrahydrofuran
CID 361776
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
[3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
CID 282525
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
2-Octoxyethylsulfonylbenzene
CID 44377556
1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane?
The IUPAC name of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane (CID 100944559) is (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane.
What is the SMILES notation for (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane?
The canonical SMILES for (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane is C[C@H]1C[C@H](S(=O)(=O)c2ccccc2)[C@@H](C)O1.
What is the InChIKey of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane?
The InChIKey is KZMBYGBFWLBGJT-UMNHJUIQSA-N. The full InChI is InChI=1S/C12H16O3S/c1-9-8-12(10(2)15-9)16(13,14)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10+,12-/m0/s1.
What are the key properties of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane?
(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane has a molecular weight of 240.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyloxolane is sourced from PubChem (CID 100944559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).