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

C7H12N4O4S — CID 122252753

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide
SMILESCOc1nc(CNS(C)(=O)=O)nc(OC)n1
InChIInChI=1S/C7H12N4O4S/c1-14-6-9-5(4-8-16(3,12)13)10-7(11-6)15-2/h8H,4H2,1-3H3
InChIKeySITGSAOPUONGBU-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.06
Rot. Bonds5

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

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide (PubChem CID 122252753) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide
PubChem CID122252753
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide
SMILESCOc1nc(CNS(C)(=O)=O)nc(OC)n1
InChIInChI=1S/C7H12N4O4S/c1-14-6-9-5(4-8-16(3,12)13)10-7(11-6)15-2/h8H,4H2,1-3H3
InChIKeySITGSAOPUONGBU-UHFFFAOYSA-N
XLogP-1.06
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide 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 N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide (CID 122252753) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide is COc1nc(CNS(C)(=O)=O)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
The InChIKey is SITGSAOPUONGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c1-14-6-9-5(4-8-16(3,12)13)10-7(11-6)15-2/h8H,4H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide has a molecular weight of 248.26 g/mol, XLogP of -1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122252753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).