(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane

C14H20O3S — CID 102328371

IUPAC(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane
SMILESCC(C)[C@@H]1CO[C@H](CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20O3S/c1-11(2)12-8-13(17-9-12)10-18(15,16)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyGJHDWSIVTWWHMN-STQMWFEESA-N
MW268.38 g/mol
LogP2.52
Rot. Bonds4

About (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane

(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane (PubChem CID 102328371) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane.

Molecular Properties

Compound Name(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane
PubChem CID102328371
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane
SMILESCC(C)[C@@H]1CO[C@H](CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20O3S/c1-11(2)12-8-13(17-9-12)10-18(15,16)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyGJHDWSIVTWWHMN-STQMWFEESA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-(benzenesulfonylmethyl)-4-propyloxolane
CID 102328367
4-(benzenesulfonylmethyl)-2-tert-butyl-1,3-dioxolane
CID 162457023
(1S,2R,3S,5S)-3-(benzenesulfonylmethyl)-5-propan-2-ylcyclopentane-1,2-diol
CID 90365866
2-(benzenesulfonylmethyl)-1,3-dioxepane
CID 102377373
(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
CID 11086314
trans-(2R,5S)-5-(benzenesulfonylmethyl)-2-propan-2-ylcyclohexan-1-one
CID 101223013
4-[[(2S)-4-(benzenesulfonylmethyl)oxolan-2-yl]methyl]-2,2-dimethyl-1,3-dioxolane
CID 146294531
(2R,7S)-2-(benzenesulfonylmethyl)-7-methyloxepane
CID 102009091
(2R,4R)-4-bromo-2-[(4-fluorophenyl)sulfonylmethyl]oxolane
CID 86750318
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
(3S)-3-(benzenesulfonylmethyl)-1,1-dimethyl-3,4-dihydroisochromene
CID 166446014

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane?
The IUPAC name of (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane (CID 102328371) is (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane.
What is the SMILES notation for (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane?
The canonical SMILES for (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane is CC(C)[C@@H]1CO[C@H](CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane?
The InChIKey is GJHDWSIVTWWHMN-STQMWFEESA-N. The full InChI is InChI=1S/C14H20O3S/c1-11(2)12-8-13(17-9-12)10-18(15,16)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane?
(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane has a molecular weight of 268.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane is sourced from PubChem (CID 102328371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).