(2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane

C11H14O4S — CID 23256645

IUPAC(2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane
SMILESCO[C@H]1CC[C@H](S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C11H14O4S/c1-14-10-7-8-11(15-10)16(12,13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyDLWUDIYDJNXNNF-MNOVXSKESA-N
MW242.30 g/mol
LogP1.57
Rot. Bonds3

About (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane

(2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane (PubChem CID 23256645) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane.

Molecular Properties

Compound Name(2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane
PubChem CID23256645
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name(2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane
SMILESCO[C@H]1CC[C@H](S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C11H14O4S/c1-14-10-7-8-11(15-10)16(12,13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m1/s1
InChIKeyDLWUDIYDJNXNNF-MNOVXSKESA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
2-Ethoxyethylsulfonylbenzene
CID 44377531
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023
5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 72741045
[(2,2-Dimethoxyethyl)thio]benzene
CID 10584119

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane?
The IUPAC name of (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane (CID 23256645) is (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane.
What is the SMILES notation for (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane?
The canonical SMILES for (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane is CO[C@H]1CC[C@H](S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane?
The InChIKey is DLWUDIYDJNXNNF-MNOVXSKESA-N. The full InChI is InChI=1S/C11H14O4S/c1-14-10-7-8-11(15-10)16(12,13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane?
(2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane has a molecular weight of 242.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(benzenesulfonyl)-5-methoxyoxolane is sourced from PubChem (CID 23256645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).