2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane

C13H18O4S — CID 10423272

IUPAC2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane
SMILESCC1(CCCS(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C13H18O4S/c1-13(16-9-10-17-13)8-5-11-18(14,15)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyUGAHNIBJFDGOSK-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.00
Rot. Bonds5

About 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane

2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane (PubChem CID 10423272) has the molecular formula C13H18O4S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane
PubChem CID10423272
Molecular FormulaC13H18O4S
Molecular Weight270.35 g/mol
Exact Mass270.09
IUPAC Name2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane
SMILESCC1(CCCS(=O)(=O)c2ccccc2)OCCO1
InChIInChI=1S/C13H18O4S/c1-13(16-9-10-17-13)8-5-11-18(14,15)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyUGAHNIBJFDGOSK-UHFFFAOYSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(benzenesulfonyl)propyl]-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-Ethoxyethylsulfonylbenzene
CID 44377531
2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
(+-)-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
6-(Benzenesulfonylmethyl)-6-methyl-3,3-dipentyl-1,2,4-trioxane
CID 71597311
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane (CID 10423272) is 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane is CC1(CCCS(=O)(=O)c2ccccc2)OCCO1.
What is the InChIKey of 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane?
The InChIKey is UGAHNIBJFDGOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4S/c1-13(16-9-10-17-13)8-5-11-18(14,15)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane?
2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane has a molecular weight of 270.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)propyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10423272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).