(2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane

C12H16O3S — CID 10868408

IUPAC(2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane
SMILESC[C@H]1CC[C@@H](CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C12H16O3S/c1-10-7-8-11(15-10)9-16(13,14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyDLPSHHSRQHKVGE-QWRGUYRKSA-N
MW240.32 g/mol
LogP2.03
Rot. Bonds3

About (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane

(2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane (PubChem CID 10868408) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane.

Molecular Properties

Compound Name(2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane
PubChem CID10868408
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane
SMILESC[C@H]1CC[C@@H](CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C12H16O3S/c1-10-7-8-11(15-10)9-16(13,14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyDLPSHHSRQHKVGE-QWRGUYRKSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane 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 (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane?
The IUPAC name of (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane (CID 10868408) is (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane.
What is the SMILES notation for (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane?
The canonical SMILES for (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane is C[C@H]1CC[C@@H](CS(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane?
The InChIKey is DLPSHHSRQHKVGE-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16O3S/c1-10-7-8-11(15-10)9-16(13,14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane?
(2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane has a molecular weight of 240.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(benzenesulfonylmethyl)-5-methyloxolane is sourced from PubChem (CID 10868408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).