3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide

C9H16O4S — CID 165494543

IUPAC3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCOCC(C)OC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O4S/c1-3-12-6-8(2)13-9-4-5-14(10,11)7-9/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyBNHLVUAOJAYHFE-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.74
Rot. Bonds5

About 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide

3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165494543) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165494543
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCOCC(C)OC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H16O4S/c1-3-12-6-8(2)13-9-4-5-14(10,11)7-9/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyBNHLVUAOJAYHFE-UHFFFAOYSA-N
XLogP0.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165494543) is 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide is CCOCC(C)OC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is BNHLVUAOJAYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-3-12-6-8(2)13-9-4-5-14(10,11)7-9/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 220.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165494543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).