(2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane

C14H20O3S — CID 102328367

IUPAC(2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane
SMILESCCC[C@@H]1CO[C@H](CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20O3S/c1-2-6-12-9-13(17-10-12)11-18(15,16)14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-11H2,1H3/t12-,13-/m0/s1
InChIKeyWLJSZFSARLMPPC-STQMWFEESA-N
MW268.38 g/mol
LogP2.67
Rot. Bonds5

About (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane

(2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane (PubChem CID 102328367) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane.

Molecular Properties

Compound Name(2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane
PubChem CID102328367
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name(2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane
SMILESCCC[C@@H]1CO[C@H](CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20O3S/c1-2-6-12-9-13(17-10-12)11-18(15,16)14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-11H2,1H3/t12-,13-/m0/s1
InChIKeyWLJSZFSARLMPPC-STQMWFEESA-N
XLogP2.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane 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

(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane
CID 102328371
4-[[(2S)-4-(benzenesulfonylmethyl)oxolan-2-yl]methyl]-2,2-dimethyl-1,3-dioxolane
CID 146294531
4-(benzenesulfonylmethyl)-2-tert-butyl-1,3-dioxolane
CID 162457023
2-(benzenesulfonylmethyl)-1,3-dioxepane
CID 102377373
(2R,4R)-4-bromo-2-[(4-fluorophenyl)sulfonylmethyl]oxolane
CID 86750318
(2R,7S)-2-(benzenesulfonylmethyl)-7-methyloxepane
CID 102009091
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
CID 62918050
(2,2-dibromocyclopropyl)methylsulfonylbenzene
CID 611296
(3S)-3-(benzenesulfonylmethyl)-1,1-dimethyl-3,4-dihydroisochromene
CID 166446014
4-[(3-bromophenyl)sulfonylmethyl]oxane
CID 138986033
(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
CID 11086314

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane?
The IUPAC name of (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane (CID 102328367) is (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane.
What is the SMILES notation for (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane?
The canonical SMILES for (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane is CCC[C@@H]1CO[C@H](CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane?
The InChIKey is WLJSZFSARLMPPC-STQMWFEESA-N. The full InChI is InChI=1S/C14H20O3S/c1-2-6-12-9-13(17-10-12)11-18(15,16)14-7-4-3-5-8-14/h3-5,7-8,12-13H,2,6,9-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane?
(2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane has a molecular weight of 268.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane is sourced from PubChem (CID 102328367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).