4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide

C12H18N4O2S2 — CID 113366302

IUPAC4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(CCCc2cccs2)nnc1S(N)(=O)=O
InChIInChI=1S/C12H18N4O2S2/c1-9(2)16-11(14-15-12(16)20(13,17)18)7-3-5-10-6-4-8-19-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,13,17,18)
InChIKeyXOPUSAYLLUHCGO-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.74
Rot. Bonds6

About 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide

4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113366302) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide
PubChem CID113366302
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(CCCc2cccs2)nnc1S(N)(=O)=O
InChIInChI=1S/C12H18N4O2S2/c1-9(2)16-11(14-15-12(16)20(13,17)18)7-3-5-10-6-4-8-19-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,13,17,18)
InChIKeyXOPUSAYLLUHCGO-UHFFFAOYSA-N
XLogP1.74
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-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

Related Compounds

5-heptyl-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366295
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
ethyl 1-methyl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-carboxylate
CID 63382371
6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 81438328
1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
CID 81187038
2-butylthiophene;methanamine
CID 143080300
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
CID 66042769
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine
CID 107757361
(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
CID 105290949

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide (CID 113366302) is 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide is CC(C)n1c(CCCc2cccs2)nnc1S(N)(=O)=O.
What is the InChIKey of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is XOPUSAYLLUHCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-9(2)16-11(14-15-12(16)20(13,17)18)7-3-5-10-6-4-8-19-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,13,17,18).
What are the key properties of 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide?
4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).