2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide

C6H10N6O3S — CID 57329315

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1nc(N)nc(N)n1
InChIInChI=1S/C6H10N6O3S/c7-3(13)1-16(14,15)2-4-10-5(8)12-6(9)11-4/h1-2H2,(H2,7,13)(H4,8,9,10,11,12)
InChIKeyGBUDKKHOZTXPOB-UHFFFAOYSA-N
MW246.25 g/mol
LogP-2.56
Rot. Bonds4

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide

2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide (PubChem CID 57329315) has the molecular formula C6H10N6O3S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide
PubChem CID57329315
Molecular FormulaC6H10N6O3S
Molecular Weight246.25 g/mol
Exact Mass246.05
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1nc(N)nc(N)n1
InChIInChI=1S/C6H10N6O3S/c7-3(13)1-16(14,15)2-4-10-5(8)12-6(9)11-4/h1-2H2,(H2,7,13)(H4,8,9,10,11,12)
InChIKeyGBUDKKHOZTXPOB-UHFFFAOYSA-N
XLogP-2.56
TPSA167.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-2.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide 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-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide (CID 57329315) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide is NC(=O)CS(=O)(=O)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide?
The InChIKey is GBUDKKHOZTXPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O3S/c7-3(13)1-16(14,15)2-4-10-5(8)12-6(9)11-4/h1-2H2,(H2,7,13)(H4,8,9,10,11,12).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide has a molecular weight of 246.25 g/mol, XLogP of -2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 57329315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).