4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide

C6H10O3S — CID 123860694

IUPAC4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCOC1C=CS(=O)(=O)CC1
InChIInChI=1S/C6H10O3S/c1-9-6-2-4-10(7,8)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyQYDMYNINLMAJSE-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.33
Rot. Bonds1

About 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide

4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 123860694) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID123860694
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide
SMILESCOC1C=CS(=O)(=O)CC1
InChIInChI=1S/C6H10O3S/c1-9-6-2-4-10(7,8)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyQYDMYNINLMAJSE-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide (CID 123860694) is 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide is COC1C=CS(=O)(=O)CC1.
What is the InChIKey of 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is QYDMYNINLMAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-9-6-2-4-10(7,8)5-3-6/h2,4,6H,3,5H2,1H3.
What are the key properties of 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide?
4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 162.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 123860694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).