4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide

C11H22O3S — CID 118654792

IUPAC4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide
SMILESCC(C)(C)OCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)14-7-4-10-5-8-15(12,13)9-6-10/h10H,4-9H2,1-3H3
InChIKeyUALBPVGNWMNWDT-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.02
Rot. Bonds3

About 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide

4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide (PubChem CID 118654792) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide
PubChem CID118654792
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide
SMILESCC(C)(C)OCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)14-7-4-10-5-8-15(12,13)9-6-10/h10H,4-9H2,1-3H3
InChIKeyUALBPVGNWMNWDT-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methoxymethyl)thiane 1,1-dioxide
CID 57609412
4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
(2R)-2-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane
CID 58042605
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-Cyclopropylsulfonyl-4-methyloxane
CID 58169937
4-(2,3,3-Trimethylbutan-2-ylsulfonyl)oxane
CID 58201682
4-[2-(2,3-Dimethylbutan-2-ylsulfonyl)ethyl]oxane
CID 58201699
1-Methylidene-4-(propan-2-yloxymethyl)thiane 1-oxide
CID 58377372
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
3-(Methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814892
3-(Ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814902
4-Methyl-4-(2-methylpropylsulfonyl)oxane
CID 58814935

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide (CID 118654792) is 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide is CC(C)(C)OCCC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide?
The InChIKey is UALBPVGNWMNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-11(2,3)14-7-4-10-5-8-15(12,13)9-6-10/h10H,4-9H2,1-3H3.
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide?
4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 118654792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).