(2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide

C8H11N5O2S — CID 146529797

IUPAC(2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide
SMILESC=N/C(=C\C=C(/C)S(N)(=O)=O)n1ccnn1
InChIInChI=1S/C8H11N5O2S/c1-7(16(9,14)15)3-4-8(10-2)13-6-5-11-12-13/h3-6H,2H2,1H3,(H2,9,14,15)/b7-3+,8-4+
InChIKeyLVNJTSXVEUJGAZ-FCXRPNKRSA-N
MW241.28 g/mol
LogP-0.03
Rot. Bonds4

About (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide

(2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide (PubChem CID 146529797) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide.

Molecular Properties

Compound Name(2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide
PubChem CID146529797
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name(2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide
SMILESC=N/C(=C\C=C(/C)S(N)(=O)=O)n1ccnn1
InChIInChI=1S/C8H11N5O2S/c1-7(16(9,14)15)3-4-8(10-2)13-6-5-11-12-13/h3-6H,2H2,1H3,(H2,9,14,15)/b7-3+,8-4+
InChIKeyLVNJTSXVEUJGAZ-FCXRPNKRSA-N
XLogP-0.03
TPSA103.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide
CID 146529798
N-[(1E,3Z)-1-(triazol-1-yl)penta-1,3-dienyl]butan-2-imine
CID 174116654
triazole-1-sulfonamide
CID 22401447
(E)-2-fluoro-3-(triazol-1-yl)but-2-en-1-imine
CID 163671729
triazole-1-carboximidamide;hydrochloride
CID 18519220
carbamoyl triazole-1-carboxylate
CID 140664884
(1E,3E,5E)-2-methylsulfanyl-5-(triazol-1-yl)-4-(trifluoromethyl)hepta-1,3,5-trien-1-amine
CID 138660935
N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide
CID 134267842
(4-fluoro-5-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 90939039
1-propan-2-ylsulfonyltriazole
CID 175856255
ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-diene-2-sulfonamide
CID 142166886
dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine
CID 18721431

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide?
The IUPAC name of (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide (CID 146529797) is (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide.
What is the SMILES notation for (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide?
The canonical SMILES for (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide is C=N/C(=C\C=C(/C)S(N)(=O)=O)n1ccnn1.
What is the InChIKey of (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide?
The InChIKey is LVNJTSXVEUJGAZ-FCXRPNKRSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-7(16(9,14)15)3-4-8(10-2)13-6-5-11-12-13/h3-6H,2H2,1H3,(H2,9,14,15)/b7-3+,8-4+.
What are the key properties of (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide?
(2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide has a molecular weight of 241.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(methylideneamino)-5-(triazol-1-yl)penta-2,4-diene-2-sulfonamide is sourced from PubChem (CID 146529797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).