4-(Methoxymethyl)thiane 1,1-dioxide

C7H14O3S — CID 57609412

IUPAC4-(methoxymethyl)thiane 1,1-dioxide
SMILESCOCC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14O3S/c1-10-6-7-2-4-11(8,9)5-3-7/h7H,2-6H2,1H3
InChIKeyROJASPJPBMLHHA-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.20
Rot. Bonds2

About 4-(Methoxymethyl)thiane 1,1-dioxide

4-(Methoxymethyl)thiane 1,1-dioxide (PubChem CID 57609412) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 4-(methoxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(Methoxymethyl)thiane 1,1-dioxide
PubChem CID57609412
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name4-(methoxymethyl)thiane 1,1-dioxide
SMILESCOCC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14O3S/c1-10-6-7-2-4-11(8,9)5-3-7/h7H,2-6H2,1H3
InChIKeyROJASPJPBMLHHA-UHFFFAOYSA-N
XLogP0.20
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 25179255
1-Oxa-6lambda6-thiaspiro[2.5]octane-6,6-dione
CID 12332011
3-Methoxythiane 1,1-dioxide
CID 13567425
3-Ethyl-2-methoxythiolane 1,1-dioxide
CID 53729688
3-(Methoxymethyl)thiolane 1,1-dioxide
CID 57609419
4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
4-Methyl-4-methylsulfonyloxane
CID 58169936
4-[2-(2,3-Dimethylbutan-2-ylsulfonyl)ethyl]oxane
CID 58201699
3-(Methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814892
3-(Ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814902
4-Methyl-4-(2-methylpropylsulfonyl)oxane
CID 58814935
3-Propan-2-yl-1,4-oxathiane 4,4-dioxide
CID 58815008

Frequently Asked Questions

What is the IUPAC name of 4-(Methoxymethyl)thiane 1,1-dioxide?
The IUPAC name of 4-(Methoxymethyl)thiane 1,1-dioxide (CID 57609412) is 4-(methoxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(Methoxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(Methoxymethyl)thiane 1,1-dioxide is COCC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(Methoxymethyl)thiane 1,1-dioxide?
The InChIKey is ROJASPJPBMLHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-10-6-7-2-4-11(8,9)5-3-7/h7H,2-6H2,1H3.
What are the key properties of 4-(Methoxymethyl)thiane 1,1-dioxide?
4-(Methoxymethyl)thiane 1,1-dioxide has a molecular weight of 178.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Methoxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 57609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).