[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate

C14H18N6O7S2 — CID 13473132

IUPAC[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OS(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H18N6O7S2/c1-9-15-12(18-14(16-9)26-4)17-13(21)19-28(22,23)11-8-6-5-7-10(11)27-29(24,25)20(2)3/h5-8H,1-4H3,(H2,15,16,17,18,19,21)
InChIKeyBLJIBKXICJQDMX-UHFFFAOYSA-N
MW446.47 g/mol
LogP-0.12
Rot. Bonds7

About [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate

[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate (PubChem CID 13473132) has the molecular formula C14H18N6O7S2 and a molecular weight of 446.47 g/mol. Its IUPAC name is [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate
PubChem CID13473132
Molecular FormulaC14H18N6O7S2
Molecular Weight446.47 g/mol
Exact Mass446.07
IUPAC Name[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OS(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H18N6O7S2/c1-9-15-12(18-14(16-9)26-4)17-13(21)19-28(22,23)11-8-6-5-7-10(11)27-29(24,25)20(2)3/h5-8H,1-4H3,(H2,15,16,17,18,19,21)
InChIKeyBLJIBKXICJQDMX-UHFFFAOYSA-N
XLogP-0.12
TPSA169.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate with MolForge

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Related Compounds

lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 173067641
1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 70498319
CID 88679981
CID 88679981
1-[2-(cyclopenten-1-yl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 13097393
CID 88509322
CID 88509322
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67709902
1-[2-(cyclopropylmethoxy)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 70527394
1-[2-[(E)-but-2-enoxy]phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 13321801
4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 18402899
1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 137481744

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate (CID 13473132) is [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate is COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OS(=O)(=O)N(C)C)n1.
What is the InChIKey of [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate?
The InChIKey is BLJIBKXICJQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O7S2/c1-9-15-12(18-14(16-9)26-4)17-13(21)19-28(22,23)11-8-6-5-7-10(11)27-29(24,25)20(2)3/h5-8H,1-4H3,(H2,15,16,17,18,19,21).
What are the key properties of [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate?
[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate has a molecular weight of 446.47 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 13473132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).