2-ethylsulfonyl-4H-pyran

C7H10O3S — CID 174480398

IUPAC2-ethylsulfonyl-4H-pyran
SMILESCCS(=O)(=O)C1=CCC=CO1
InChIInChI=1S/C7H10O3S/c1-2-11(8,9)7-5-3-4-6-10-7/h4-6H,2-3H2,1H3
InChIKeyWFTNJOHLGDQGTB-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.20
Rot. Bonds2

About 2-ethylsulfonyl-4H-pyran

2-ethylsulfonyl-4H-pyran (PubChem CID 174480398) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-ethylsulfonyl-4H-pyran.

Molecular Properties

Compound Name2-ethylsulfonyl-4H-pyran
PubChem CID174480398
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name2-ethylsulfonyl-4H-pyran
SMILESCCS(=O)(=O)C1=CCC=CO1
InChIInChI=1S/C7H10O3S/c1-2-11(8,9)7-5-3-4-6-10-7/h4-6H,2-3H2,1H3
InChIKeyWFTNJOHLGDQGTB-UHFFFAOYSA-N
XLogP1.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-4H-pyran?
The IUPAC name of 2-ethylsulfonyl-4H-pyran (CID 174480398) is 2-ethylsulfonyl-4H-pyran.
What is the SMILES notation for 2-ethylsulfonyl-4H-pyran?
The canonical SMILES for 2-ethylsulfonyl-4H-pyran is CCS(=O)(=O)C1=CCC=CO1.
What is the InChIKey of 2-ethylsulfonyl-4H-pyran?
The InChIKey is WFTNJOHLGDQGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c1-2-11(8,9)7-5-3-4-6-10-7/h4-6H,2-3H2,1H3.
What are the key properties of 2-ethylsulfonyl-4H-pyran?
2-ethylsulfonyl-4H-pyran has a molecular weight of 174.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-4H-pyran is sourced from PubChem (CID 174480398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).