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

C14H24N8O2S — CID 122254127

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C14H24N8O2S/c1-10(2)22-8-12(15-9-22)25(23,24)16-7-11-17-13(20(3)4)19-14(18-11)21(5)6/h8-10,16H,7H2,1-6H3
InChIKeyXVWOKGBVKKQANE-UHFFFAOYSA-N
MW368.47 g/mol
LogP0.26
Rot. Bonds7

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122254127) has the molecular formula C14H24N8O2S and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID122254127
Molecular FormulaC14H24N8O2S
Molecular Weight368.47 g/mol
Exact Mass368.17
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C14H24N8O2S/c1-10(2)22-8-12(15-9-22)25(23,24)16-7-11-17-13(20(3)4)19-14(18-11)21(5)6/h8-10,16H,7H2,1-6H3
InChIKeyXVWOKGBVKKQANE-UHFFFAOYSA-N
XLogP0.26
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 122254127) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is XVWOKGBVKKQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8O2S/c1-10(2)22-8-12(15-9-22)25(23,24)16-7-11-17-13(20(3)4)19-14(18-11)21(5)6/h8-10,16H,7H2,1-6H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 368.47 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122254127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).