(4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane

C12H16O4S — CID 138968731

IUPAC(4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC1OC[C@@H](CCS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C12H16O4S/c1-10-15-9-11(16-10)7-8-17(13,14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10?,11-/m1/s1
InChIKeyKKCOTYWGANKVAB-RRKGBCIJSA-N
MW256.32 g/mol
LogP1.61
Rot. Bonds4

About (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane

(4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane (PubChem CID 138968731) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane
PubChem CID138968731
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name(4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC1OC[C@@H](CCS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C12H16O4S/c1-10-15-9-11(16-10)7-8-17(13,14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10?,11-/m1/s1
InChIKeyKKCOTYWGANKVAB-RRKGBCIJSA-N
XLogP1.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane 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

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
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
(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan
CID 366363
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
4-[2-(Benzenesulfonyl)-2-diethoxyphosphoryl-2-fluoroethyl]-2,2-dimethyl-1,3-dioxolane
CID 101149173
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane (CID 138968731) is (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane is CC1OC[C@@H](CCS(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane?
The InChIKey is KKCOTYWGANKVAB-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H16O4S/c1-10-15-9-11(16-10)7-8-17(13,14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10?,11-/m1/s1.
What are the key properties of (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane?
(4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane has a molecular weight of 256.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(benzenesulfonyl)ethyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 138968731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).