5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide

C8H10N2O4S2 — CID 106266016

IUPAC5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
SMILESCOCCONS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C8H10N2O4S2/c1-13-4-5-14-10-16(11,12)8-3-2-7(6-9)15-8/h2-3,10H,4-5H2,1H3
InChIKeyLDLVNMGPGAEEGR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.48
Rot. Bonds6

About 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide

5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide (PubChem CID 106266016) has the molecular formula C8H10N2O4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
PubChem CID106266016
Molecular FormulaC8H10N2O4S2
Molecular Weight262.31 g/mol
Exact Mass262.01
IUPAC Name5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
SMILESCOCCONS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C8H10N2O4S2/c1-13-4-5-14-10-16(11,12)8-3-2-7(6-9)15-8/h2-3,10H,4-5H2,1H3
InChIKeyLDLVNMGPGAEEGR-UHFFFAOYSA-N
XLogP0.48
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide (CID 106266016) is 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide is COCCONS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide?
The InChIKey is LDLVNMGPGAEEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S2/c1-13-4-5-14-10-16(11,12)8-3-2-7(6-9)15-8/h2-3,10H,4-5H2,1H3.
What are the key properties of 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide?
5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 106266016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).