2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane

C9H18O4S — CID 66473770

IUPAC2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane
SMILESCC(C)S(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C9H18O4S/c1-8(2)14(10,11)7-4-9-12-5-3-6-13-9/h8-9H,3-7H2,1-2H3
InChIKeyFDZDXZJBPVKJLS-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane

2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane (PubChem CID 66473770) has the molecular formula C9H18O4S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane
PubChem CID66473770
Molecular FormulaC9H18O4S
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane
SMILESCC(C)S(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C9H18O4S/c1-8(2)14(10,11)7-4-9-12-5-3-6-13-9/h8-9H,3-7H2,1-2H3
InChIKeyFDZDXZJBPVKJLS-UHFFFAOYSA-N
XLogP0.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane 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

2,6-Diethoxy-1,4-oxathiane 4,4-dioxide
CID 290019
2-tert-Butyl-5-(2-methylpropane-2-sulfonyl)-1,3-dioxane
CID 13841263
5-Methylsulfonyl-2-propan-2-yl-1,3-dioxane
CID 13841266
trans-2-t-Butyl-5-(t-butylsulfinyl)-1,3-dioxane
CID 13841261
cis-2-t-Butyl-5-(methylsulfonyl)-1,3-dioxane
CID 101212588
5-(Methylsulfinylmethyl)-2-propan-2-yl-1,3-dioxane
CID 21677896
5-(Methylsulfonylmethyl)-2-propan-2-yl-1,3-dioxane
CID 21677897
5-(2-Methylsulfonylethyl)-2-propan-2-yl-1,3-dioxane
CID 21677901
1-[3-(1-Methoxyethoxy)propylsulfinyl]butane
CID 20729023
1-[3-(1-Methoxyethoxy)propylsulfonyl]butane
CID 20729025
2-(1-Methoxyethoxy)ethylsulfonylcyclohexane
CID 20729113
3-(1-Methoxyethoxy)propylsulfonylcyclohexane
CID 20729142

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
The IUPAC name of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane (CID 66473770) is 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
The canonical SMILES for 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane is CC(C)S(=O)(=O)CCC1OCCCO1.
What is the InChIKey of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
The InChIKey is FDZDXZJBPVKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4S/c1-8(2)14(10,11)7-4-9-12-5-3-6-13-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane has a molecular weight of 222.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane is sourced from PubChem (CID 66473770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).