5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide

C11H13N3O3S2 — CID 106266785

IUPAC5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H13N3O3S2/c1-17-8-7-14(6-2-5-12)19(15,16)11-4-3-10(9-13)18-11/h3-4H,2,6-8H2,1H3
InChIKeyWLOSQMUCTCAUSO-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.17
Rot. Bonds7

About 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide

5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide (PubChem CID 106266785) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
PubChem CID106266785
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H13N3O3S2/c1-17-8-7-14(6-2-5-12)19(15,16)11-4-3-10(9-13)18-11/h3-4H,2,6-8H2,1H3
InChIKeyWLOSQMUCTCAUSO-UHFFFAOYSA-N
XLogP1.17
TPSA94.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide (CID 106266785) is 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide is COCCN(CCC#N)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The InChIKey is WLOSQMUCTCAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-17-8-7-14(6-2-5-12)19(15,16)11-4-3-10(9-13)18-11/h3-4H,2,6-8H2,1H3.
What are the key properties of 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide?
5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106266785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).