2-(propan-2-yloxymethyl)thiolane 1,1-dioxide

C8H16O3S — CID 156869177

IUPAC2-(propan-2-yloxymethyl)thiolane 1,1-dioxide
SMILESCC(C)OCC1CCCS1(=O)=O
InChIInChI=1S/C8H16O3S/c1-7(2)11-6-8-4-3-5-12(8,9)10/h7-8H,3-6H2,1-2H3
InChIKeyYYTHFROMMWKGEF-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds3

About 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide

2-(propan-2-yloxymethyl)thiolane 1,1-dioxide (PubChem CID 156869177) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)thiolane 1,1-dioxide
PubChem CID156869177
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-(propan-2-yloxymethyl)thiolane 1,1-dioxide
SMILESCC(C)OCC1CCCS1(=O)=O
InChIInChI=1S/C8H16O3S/c1-7(2)11-6-8-4-3-5-12(8,9)10/h7-8H,3-6H2,1-2H3
InChIKeyYYTHFROMMWKGEF-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene, 3-(decyloxy)tetrahydro-, 1,1-dioxide
CID 86787
3,4-Diethoxytetrahydrothiophene 1,1-dioxide
CID 2831188
3-Butoxytetrahydrothiophene 1,1-dioxide
CID 350450
Furan, tetrahydro-2-((methylsulfonyl)methyl)-
CID 27251
Furan, tetrahydro-2-((methylsulfinyl)methyl)-
CID 203869
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
3-(Methylpropoxy)thiolane-1,1-dione
CID 2831209
ST50179549
CID 3813693
2-[[(R)-methylsulfinyl]methyl]oxolane
CID 10909722
Isopropyloxysulfolane
CID 18508821
Butoxysulfolane
CID 129785244
Ethoxysulfolane
CID 129789412

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide (CID 156869177) is 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide is CC(C)OCC1CCCS1(=O)=O.
What is the InChIKey of 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide?
The InChIKey is YYTHFROMMWKGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)11-6-8-4-3-5-12(8,9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide?
2-(propan-2-yloxymethyl)thiolane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 156869177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).