3-ethylsulfonyl-2,5-dihydrofuran

C6H10O3S — CID 12543463

IUPAC3-ethylsulfonyl-2,5-dihydrofuran
SMILESCCS(=O)(=O)C1=CCOC1
InChIInChI=1S/C6H10O3S/c1-2-10(7,8)6-3-4-9-5-6/h3H,2,4-5H2,1H3
InChIKeyNQTWCUHEDHPHDW-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.34
Rot. Bonds2

About 3-ethylsulfonyl-2,5-dihydrofuran

3-ethylsulfonyl-2,5-dihydrofuran (PubChem CID 12543463) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-ethylsulfonyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-ethylsulfonyl-2,5-dihydrofuran
PubChem CID12543463
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name3-ethylsulfonyl-2,5-dihydrofuran
SMILESCCS(=O)(=O)C1=CCOC1
InChIInChI=1S/C6H10O3S/c1-2-10(7,8)6-3-4-9-5-6/h3H,2,4-5H2,1H3
InChIKeyNQTWCUHEDHPHDW-UHFFFAOYSA-N
XLogP0.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2,5-dihydrofuran?
The IUPAC name of 3-ethylsulfonyl-2,5-dihydrofuran (CID 12543463) is 3-ethylsulfonyl-2,5-dihydrofuran.
What is the SMILES notation for 3-ethylsulfonyl-2,5-dihydrofuran?
The canonical SMILES for 3-ethylsulfonyl-2,5-dihydrofuran is CCS(=O)(=O)C1=CCOC1.
What is the InChIKey of 3-ethylsulfonyl-2,5-dihydrofuran?
The InChIKey is NQTWCUHEDHPHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-10(7,8)6-3-4-9-5-6/h3H,2,4-5H2,1H3.
What are the key properties of 3-ethylsulfonyl-2,5-dihydrofuran?
3-ethylsulfonyl-2,5-dihydrofuran has a molecular weight of 162.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2,5-dihydrofuran is sourced from PubChem (CID 12543463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).