2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine

C6H11N7O2S — CID 175967924

IUPAC2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNS(=O)(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H11N7O2S/c1-2-3-9-16(14,15)13-6-11-4(7)10-5(8)12-6/h2,9H,1,3H2,(H5,7,8,10,11,12,13)
InChIKeyRULNVVYJXDWPGW-UHFFFAOYSA-N
MW245.27 g/mol
LogP-1.53
Rot. Bonds5

About 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine

2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 175967924) has the molecular formula C6H11N7O2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID175967924
Molecular FormulaC6H11N7O2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNS(=O)(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H11N7O2S/c1-2-3-9-16(14,15)13-6-11-4(7)10-5(8)12-6/h2,9H,1,3H2,(H5,7,8,10,11,12,13)
InChIKeyRULNVVYJXDWPGW-UHFFFAOYSA-N
XLogP-1.53
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine 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 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine (CID 175967924) is 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine is C=CCNS(=O)(=O)Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RULNVVYJXDWPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7O2S/c1-2-3-9-16(14,15)13-6-11-4(7)10-5(8)12-6/h2,9H,1,3H2,(H5,7,8,10,11,12,13).
What are the key properties of 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 245.27 g/mol, XLogP of -1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(prop-2-enylsulfamoyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 175967924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).