(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane

C18H20O3S2 — CID 134937731

IUPAC(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane
SMILESC[C@H]1C[C@](Sc2ccccc2)(S(=O)(=O)c2ccccc2)[C@@H](C)O1
InChIInChI=1S/C18H20O3S2/c1-14-13-18(15(2)21-14,22-16-9-5-3-6-10-16)23(19,20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15+,18-/m0/s1
InChIKeyTXVYNJXJGGFYBJ-DAYGRLMNSA-N
MW348.49 g/mol
LogP4.15
Rot. Bonds4

About (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane

(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane (PubChem CID 134937731) has the molecular formula C18H20O3S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane.

Molecular Properties

Compound Name(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane
PubChem CID134937731
Molecular FormulaC18H20O3S2
Molecular Weight348.49 g/mol
Exact Mass348.09
IUPAC Name(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane
SMILESC[C@H]1C[C@](Sc2ccccc2)(S(=O)(=O)c2ccccc2)[C@@H](C)O1
InChIInChI=1S/C18H20O3S2/c1-14-13-18(15(2)21-14,22-16-9-5-3-6-10-16)23(19,20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15+,18-/m0/s1
InChIKeyTXVYNJXJGGFYBJ-DAYGRLMNSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane?
The IUPAC name of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane (CID 134937731) is (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane.
What is the SMILES notation for (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane?
The canonical SMILES for (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane is C[C@H]1C[C@](Sc2ccccc2)(S(=O)(=O)c2ccccc2)[C@@H](C)O1.
What is the InChIKey of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane?
The InChIKey is TXVYNJXJGGFYBJ-DAYGRLMNSA-N. The full InChI is InChI=1S/C18H20O3S2/c1-14-13-18(15(2)21-14,22-16-9-5-3-6-10-16)23(19,20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15+,18-/m0/s1.
What are the key properties of (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane?
(2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane has a molecular weight of 348.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-(benzenesulfonyl)-2,5-dimethyl-3-phenylsulfanyloxolane is sourced from PubChem (CID 134937731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).