3-methoxy-2,3-dihydrothiophene 1,1-dioxide

C5H8O3S — CID 43827502

IUPAC3-methoxy-2,3-dihydrothiophene 1,1-dioxide
SMILESCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C5H8O3S/c1-8-5-2-3-9(6,7)4-5/h2-3,5H,4H2,1H3
InChIKeyBNKIBHSQTLZZFQ-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.06
Rot. Bonds1

About 3-methoxy-2,3-dihydrothiophene 1,1-dioxide

3-methoxy-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 43827502) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 3-methoxy-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-methoxy-2,3-dihydrothiophene 1,1-dioxide
PubChem CID43827502
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name3-methoxy-2,3-dihydrothiophene 1,1-dioxide
SMILESCOC1C=CS(=O)(=O)C1
InChIInChI=1S/C5H8O3S/c1-8-5-2-3-9(6,7)4-5/h2-3,5H,4H2,1H3
InChIKeyBNKIBHSQTLZZFQ-UHFFFAOYSA-N
XLogP-0.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-methoxy-2,3-dihydrothiophene 1,1-dioxide (CID 43827502) is 3-methoxy-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-methoxy-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-methoxy-2,3-dihydrothiophene 1,1-dioxide is COC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-methoxy-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is BNKIBHSQTLZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-8-5-2-3-9(6,7)4-5/h2-3,5H,4H2,1H3.
What are the key properties of 3-methoxy-2,3-dihydrothiophene 1,1-dioxide?
3-methoxy-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 148.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 43827502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).