N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide

C13H20N6O2S2 — CID 122254104

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)s1
InChIInChI=1S/C13H20N6O2S2/c1-9-6-7-11(22-9)23(20,21)14-8-10-15-12(18(2)3)17-13(16-10)19(4)5/h6-7,14H,8H2,1-5H3
InChIKeyOISXUOVXMYDGTQ-UHFFFAOYSA-N
MW356.48 g/mol
LogP0.85
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 122254104) has the molecular formula C13H20N6O2S2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID122254104
Molecular FormulaC13H20N6O2S2
Molecular Weight356.48 g/mol
Exact Mass356.11
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)s1
InChIInChI=1S/C13H20N6O2S2/c1-9-6-7-11(22-9)23(20,21)14-8-10-15-12(18(2)3)17-13(16-10)19(4)5/h6-7,14H,8H2,1-5H3
InChIKeyOISXUOVXMYDGTQ-UHFFFAOYSA-N
XLogP0.85
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide with MolForge

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Related Compounds

5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 121137926
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122254403
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide (CID 122254104) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)s1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is OISXUOVXMYDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S2/c1-9-6-7-11(22-9)23(20,21)14-8-10-15-12(18(2)3)17-13(16-10)19(4)5/h6-7,14H,8H2,1-5H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 356.48 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 122254104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).