3-butan-2-yloxythiolane 1,1-dioxide

C8H16O3S — CID 2831209

IUPAC3-butan-2-yloxythiolane 1,1-dioxide
SMILESCCC(C)OC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-3-7(2)11-8-4-5-12(9,10)6-8/h7-8H,3-6H2,1-2H3
InChIKeyFMKJXIHFIUPHHN-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds3

About 3-butan-2-yloxythiolane 1,1-dioxide

3-butan-2-yloxythiolane 1,1-dioxide (PubChem CID 2831209) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-butan-2-yloxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-butan-2-yloxythiolane 1,1-dioxide
PubChem CID2831209
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-butan-2-yloxythiolane 1,1-dioxide
SMILESCCC(C)OC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-3-7(2)11-8-4-5-12(9,10)6-8/h7-8H,3-6H2,1-2H3
InChIKeyFMKJXIHFIUPHHN-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

3,4-Dimethoxy-tetrahydro-thiophene 1,1-dioxide
CID 214010
3,4-Diethoxytetrahydrothiophene 1,1-dioxide
CID 2831188
3-Butoxytetrahydrothiophene 1,1-dioxide
CID 350450
Bis(1,1-dioxidotetrahydro-3-thienyl) ether
CID 95279
Furan, tetrahydro-2-((methylsulfonyl)methyl)-
CID 27251
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
ST50179549
CID 3813693
Isopropyloxysulfolane
CID 18508821
Butoxysulfolane
CID 129785244
Ethoxysulfolane
CID 129789412
3,4-Bis(2-methylpropoxy)tetrahydrothiophene 1,1-dioxide
CID 5211230
(R,S)-3-Methoxy-tetrahydro-thiophene 1,1-dioxide
CID 25021891

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxythiolane 1,1-dioxide?
The IUPAC name of 3-butan-2-yloxythiolane 1,1-dioxide (CID 2831209) is 3-butan-2-yloxythiolane 1,1-dioxide.
What is the SMILES notation for 3-butan-2-yloxythiolane 1,1-dioxide?
The canonical SMILES for 3-butan-2-yloxythiolane 1,1-dioxide is CCC(C)OC1CCS(=O)(=O)C1.
What is the InChIKey of 3-butan-2-yloxythiolane 1,1-dioxide?
The InChIKey is FMKJXIHFIUPHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-7(2)11-8-4-5-12(9,10)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-butan-2-yloxythiolane 1,1-dioxide?
3-butan-2-yloxythiolane 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 3-butan-2-yloxythiolane 1,1-dioxide is sourced from PubChem (CID 2831209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).