N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide

C8H11F3N6O4S — CID 141361223

IUPACN-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide
SMILESCN(C)c1nc(NC(=O)S(N)(=O)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N6O4S/c1-17(2)5-13-4(15-7(18)22(12,19)20)14-6(16-5)21-3-8(9,10)11/h3H2,1-2H3,(H2,12,19,20)(H,13,14,15,16,18)
InChIKeyDHWYGGMDYLWLBM-UHFFFAOYSA-N
MW344.28 g/mol
LogP-0.30
Rot. Bonds4

About N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide

N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide (PubChem CID 141361223) has the molecular formula C8H11F3N6O4S and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide
PubChem CID141361223
Molecular FormulaC8H11F3N6O4S
Molecular Weight344.28 g/mol
Exact Mass344.05
IUPAC NameN-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide
SMILESCN(C)c1nc(NC(=O)S(N)(=O)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N6O4S/c1-17(2)5-13-4(15-7(18)22(12,19)20)14-6(16-5)21-3-8(9,10)11/h3H2,1-2H3,(H2,12,19,20)(H,13,14,15,16,18)
InChIKeyDHWYGGMDYLWLBM-UHFFFAOYSA-N
XLogP-0.30
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide 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-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide?
The IUPAC name of N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide (CID 141361223) is N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide?
The canonical SMILES for N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide is CN(C)c1nc(NC(=O)S(N)(=O)=O)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide?
The InChIKey is DHWYGGMDYLWLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N6O4S/c1-17(2)5-13-4(15-7(18)22(12,19)20)14-6(16-5)21-3-8(9,10)11/h3H2,1-2H3,(H2,12,19,20)(H,13,14,15,16,18).
What are the key properties of N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide?
N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide has a molecular weight of 344.28 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide is sourced from PubChem (CID 141361223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).