1,3,5-triazin-2-ylmethanesulfonamide

C4H6N4O2S — CID 66922039

IUPAC1,3,5-triazin-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ncncn1
InChIInChI=1S/C4H6N4O2S/c5-11(9,10)1-4-7-2-6-3-8-4/h2-3H,1H2,(H2,5,9,10)
InChIKeyWGXRNXZUSVUMJY-UHFFFAOYSA-N
MW174.19 g/mol
LogP-1.34
Rot. Bonds2

About 1,3,5-triazin-2-ylmethanesulfonamide

1,3,5-triazin-2-ylmethanesulfonamide (PubChem CID 66922039) has the molecular formula C4H6N4O2S and a molecular weight of 174.19 g/mol. Its IUPAC name is 1,3,5-triazin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,3,5-triazin-2-ylmethanesulfonamide
PubChem CID66922039
Molecular FormulaC4H6N4O2S
Molecular Weight174.19 g/mol
Exact Mass174.02
IUPAC Name1,3,5-triazin-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ncncn1
InChIInChI=1S/C4H6N4O2S/c5-11(9,10)1-4-7-2-6-3-8-4/h2-3H,1H2,(H2,5,9,10)
InChIKeyWGXRNXZUSVUMJY-UHFFFAOYSA-N
XLogP-1.34
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-ylmethanesulfonamide?
The IUPAC name of 1,3,5-triazin-2-ylmethanesulfonamide (CID 66922039) is 1,3,5-triazin-2-ylmethanesulfonamide.
What is the SMILES notation for 1,3,5-triazin-2-ylmethanesulfonamide?
The canonical SMILES for 1,3,5-triazin-2-ylmethanesulfonamide is NS(=O)(=O)Cc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-ylmethanesulfonamide?
The InChIKey is WGXRNXZUSVUMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2S/c5-11(9,10)1-4-7-2-6-3-8-4/h2-3H,1H2,(H2,5,9,10).
What are the key properties of 1,3,5-triazin-2-ylmethanesulfonamide?
1,3,5-triazin-2-ylmethanesulfonamide has a molecular weight of 174.19 g/mol, XLogP of -1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-ylmethanesulfonamide is sourced from PubChem (CID 66922039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).