N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide

C8H14N4O2S — CID 58225161

IUPACN-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide
SMILESCc1nc(C)nc(CCNS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-6-10-7(2)12-8(11-6)4-5-9-15(3,13)14/h9H,4-5H2,1-3H3
InChIKeyBBEMACQGNZTZIG-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.42
Rot. Bonds4

About N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide

N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide (PubChem CID 58225161) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide
PubChem CID58225161
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide
SMILESCc1nc(C)nc(CCNS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-6-10-7(2)12-8(11-6)4-5-9-15(3,13)14/h9H,4-5H2,1-3H3
InChIKeyBBEMACQGNZTZIG-UHFFFAOYSA-N
XLogP-0.42
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide (CID 58225161) is N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide is Cc1nc(C)nc(CCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide?
The InChIKey is BBEMACQGNZTZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6-10-7(2)12-8(11-6)4-5-9-15(3,13)14/h9H,4-5H2,1-3H3.
What are the key properties of N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide?
N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 58225161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).