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

C7H13N5O4S2 — CID 18343760

IUPACN-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide
SMILESCCc1nc(NS(C)(=O)=O)nc(NS(C)(=O)=O)n1
InChIInChI=1S/C7H13N5O4S2/c1-4-5-8-6(11-17(2,13)14)10-7(9-5)12-18(3,15)16/h4H2,1-3H3,(H2,8,9,10,11,12)
InChIKeySXMONUWSCJTGGF-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.82
Rot. Bonds5

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

N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide (PubChem CID 18343760) has the molecular formula C7H13N5O4S2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide
PubChem CID18343760
Molecular FormulaC7H13N5O4S2
Molecular Weight295.35 g/mol
Exact Mass295.04
IUPAC NameN-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide
SMILESCCc1nc(NS(C)(=O)=O)nc(NS(C)(=O)=O)n1
InChIInChI=1S/C7H13N5O4S2/c1-4-5-8-6(11-17(2,13)14)10-7(9-5)12-18(3,15)16/h4H2,1-3H3,(H2,8,9,10,11,12)
InChIKeySXMONUWSCJTGGF-UHFFFAOYSA-N
XLogP-0.82
TPSA131.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-amino-6-methyl-1,3,5-triazin-2-yl)methanesulfonamide
CID 53684273
N-(4-chloro-6-methyl-1,3,5-triazin-2-yl)methanesulfonamide
CID 53704473
N-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]methanesulfonamide
CID 58225161
N-(4-ethyl-1,3,5-triazin-2-yl)methanesulfonamide
CID 167231945
4-Ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868988
2-(4,6-Diamino-1,3,5-triazin-2-yl)ethanesulfonic acid
CID 73894035
4-Methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 104518312
6-(1-Methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 104518317
4-Chloro-6-(1-methanesulfonylethyl)-1,3,5-triazin-2-amine
CID 104523076
6-(2-Methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681369
4-Methyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 116633635
4-Ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 116633637

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide?
The IUPAC name of N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide (CID 18343760) is N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide is CCc1nc(NS(C)(=O)=O)nc(NS(C)(=O)=O)n1.
What is the InChIKey of N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide?
The InChIKey is SXMONUWSCJTGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O4S2/c1-4-5-8-6(11-17(2,13)14)10-7(9-5)12-18(3,15)16/h4H2,1-3H3,(H2,8,9,10,11,12).
What are the key properties of N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide?
N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide has a molecular weight of 295.35 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide is sourced from PubChem (CID 18343760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).