3-prop-2-enyl-2H-pyran-4-sulfonamide

C8H11NO3S — CID 145359194

IUPAC3-prop-2-enyl-2H-pyran-4-sulfonamide
SMILESC=CCC1=C(S(N)(=O)=O)C=COC1
InChIInChI=1S/C8H11NO3S/c1-2-3-7-6-12-5-4-8(7)13(9,10)11/h2,4-5H,1,3,6H2,(H2,9,10,11)
InChIKeyCLMTULFHATWSNN-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.65
Rot. Bonds3

About 3-prop-2-enyl-2H-pyran-4-sulfonamide

3-prop-2-enyl-2H-pyran-4-sulfonamide (PubChem CID 145359194) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-prop-2-enyl-2H-pyran-4-sulfonamide.

Molecular Properties

Compound Name3-prop-2-enyl-2H-pyran-4-sulfonamide
PubChem CID145359194
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name3-prop-2-enyl-2H-pyran-4-sulfonamide
SMILESC=CCC1=C(S(N)(=O)=O)C=COC1
InChIInChI=1S/C8H11NO3S/c1-2-3-7-6-12-5-4-8(7)13(9,10)11/h2,4-5H,1,3,6H2,(H2,9,10,11)
InChIKeyCLMTULFHATWSNN-UHFFFAOYSA-N
XLogP0.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-2H-pyran-4-sulfonamide?
The IUPAC name of 3-prop-2-enyl-2H-pyran-4-sulfonamide (CID 145359194) is 3-prop-2-enyl-2H-pyran-4-sulfonamide.
What is the SMILES notation for 3-prop-2-enyl-2H-pyran-4-sulfonamide?
The canonical SMILES for 3-prop-2-enyl-2H-pyran-4-sulfonamide is C=CCC1=C(S(N)(=O)=O)C=COC1.
What is the InChIKey of 3-prop-2-enyl-2H-pyran-4-sulfonamide?
The InChIKey is CLMTULFHATWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-2-3-7-6-12-5-4-8(7)13(9,10)11/h2,4-5H,1,3,6H2,(H2,9,10,11).
What are the key properties of 3-prop-2-enyl-2H-pyran-4-sulfonamide?
3-prop-2-enyl-2H-pyran-4-sulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2H-pyran-4-sulfonamide is sourced from PubChem (CID 145359194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).