N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide

C12H19NO6S2 — CID 126814451

IUPACN-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide
SMILESCCc1ccc(C(COC)NS(=O)(=O)C2CS(=O)(=O)C2)o1
InChIInChI=1S/C12H19NO6S2/c1-3-9-4-5-12(19-9)11(6-18-2)13-21(16,17)10-7-20(14,15)8-10/h4-5,10-11,13H,3,6-8H2,1-2H3
InChIKeyXRJQPTDLNNRKGR-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.25
Rot. Bonds7

About N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide

N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide (PubChem CID 126814451) has the molecular formula C12H19NO6S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide
PubChem CID126814451
Molecular FormulaC12H19NO6S2
Molecular Weight337.42 g/mol
Exact Mass337.07
IUPAC NameN-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide
SMILESCCc1ccc(C(COC)NS(=O)(=O)C2CS(=O)(=O)C2)o1
InChIInChI=1S/C12H19NO6S2/c1-3-9-4-5-12(19-9)11(6-18-2)13-21(16,17)10-7-20(14,15)8-10/h4-5,10-11,13H,3,6-8H2,1-2H3
InChIKeyXRJQPTDLNNRKGR-UHFFFAOYSA-N
XLogP0.25
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide (CID 126814451) is N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide is CCc1ccc(C(COC)NS(=O)(=O)C2CS(=O)(=O)C2)o1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide?
The InChIKey is XRJQPTDLNNRKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S2/c1-3-9-4-5-12(19-9)11(6-18-2)13-21(16,17)10-7-20(14,15)8-10/h4-5,10-11,13H,3,6-8H2,1-2H3.
What are the key properties of N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide?
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide has a molecular weight of 337.42 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide is sourced from PubChem (CID 126814451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).