N-(1,3,5-triazin-2-yl)methanesulfonamide

C4H6N4O2S — CID 54054805

IUPACN-(1,3,5-triazin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ncncn1
InChIInChI=1S/C4H6N4O2S/c1-11(9,10)8-4-6-2-5-3-7-4/h2-3H,1H3,(H,5,6,7,8)
InChIKeyLVMMXBFPGIGMAI-UHFFFAOYSA-N
MW174.19 g/mol
LogP-0.76
Rot. Bonds2

About N-(1,3,5-triazin-2-yl)methanesulfonamide

N-(1,3,5-triazin-2-yl)methanesulfonamide (PubChem CID 54054805) has the molecular formula C4H6N4O2S and a molecular weight of 174.19 g/mol. Its IUPAC name is N-(1,3,5-triazin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3,5-triazin-2-yl)methanesulfonamide
PubChem CID54054805
Molecular FormulaC4H6N4O2S
Molecular Weight174.19 g/mol
Exact Mass174.02
IUPAC NameN-(1,3,5-triazin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ncncn1
InChIInChI=1S/C4H6N4O2S/c1-11(9,10)8-4-6-2-5-3-7-4/h2-3H,1H3,(H,5,6,7,8)
InChIKeyLVMMXBFPGIGMAI-UHFFFAOYSA-N
XLogP-0.76
TPSA84.84 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 ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-triazin-2-yl)methanesulfonamide?
The IUPAC name of N-(1,3,5-triazin-2-yl)methanesulfonamide (CID 54054805) is N-(1,3,5-triazin-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1,3,5-triazin-2-yl)methanesulfonamide?
The canonical SMILES for N-(1,3,5-triazin-2-yl)methanesulfonamide is CS(=O)(=O)Nc1ncncn1.
What is the InChIKey of N-(1,3,5-triazin-2-yl)methanesulfonamide?
The InChIKey is LVMMXBFPGIGMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2S/c1-11(9,10)8-4-6-2-5-3-7-4/h2-3H,1H3,(H,5,6,7,8).
What are the key properties of N-(1,3,5-triazin-2-yl)methanesulfonamide?
N-(1,3,5-triazin-2-yl)methanesulfonamide has a molecular weight of 174.19 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-triazin-2-yl)methanesulfonamide is sourced from PubChem (CID 54054805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).