2-methylsulfonyl-3,4-dihydro-2H-pyran

C6H10O3S — CID 140988756

IUPAC2-methylsulfonyl-3,4-dihydro-2H-pyran
SMILESCS(=O)(=O)C1CCC=CO1
InChIInChI=1S/C6H10O3S/c1-10(7,8)6-4-2-3-5-9-6/h3,5-6H,2,4H2,1H3
InChIKeySFLRHYZTMSQZDL-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.68
Rot. Bonds1

About 2-methylsulfonyl-3,4-dihydro-2H-pyran

2-methylsulfonyl-3,4-dihydro-2H-pyran (PubChem CID 140988756) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-methylsulfonyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-methylsulfonyl-3,4-dihydro-2H-pyran
PubChem CID140988756
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-methylsulfonyl-3,4-dihydro-2H-pyran
SMILESCS(=O)(=O)C1CCC=CO1
InChIInChI=1S/C6H10O3S/c1-10(7,8)6-4-2-3-5-9-6/h3,5-6H,2,4H2,1H3
InChIKeySFLRHYZTMSQZDL-UHFFFAOYSA-N
XLogP0.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-methylsulfonyl-3,4-dihydro-2H-pyran (CID 140988756) is 2-methylsulfonyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-methylsulfonyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-methylsulfonyl-3,4-dihydro-2H-pyran is CS(=O)(=O)C1CCC=CO1.
What is the InChIKey of 2-methylsulfonyl-3,4-dihydro-2H-pyran?
The InChIKey is SFLRHYZTMSQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-10(7,8)6-4-2-3-5-9-6/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-methylsulfonyl-3,4-dihydro-2H-pyran?
2-methylsulfonyl-3,4-dihydro-2H-pyran has a molecular weight of 162.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 140988756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).