N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide

C17H21N7O2S — CID 121137843

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)c2cccc3cccnc23)nc(N(C)C)n1
InChIInChI=1S/C17H21N7O2S/c1-23(2)16-20-14(21-17(22-16)24(3)4)11-19-27(25,26)13-9-5-7-12-8-6-10-18-15(12)13/h5-10,19H,11H2,1-4H3
InChIKeyLSKICSCDIYTMMS-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.03
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide (PubChem CID 121137843) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
PubChem CID121137843
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)c2cccc3cccnc23)nc(N(C)C)n1
InChIInChI=1S/C17H21N7O2S/c1-23(2)16-20-14(21-17(22-16)24(3)4)11-19-27(25,26)13-9-5-7-12-8-6-10-18-15(12)13/h5-10,19H,11H2,1-4H3
InChIKeyLSKICSCDIYTMMS-UHFFFAOYSA-N
XLogP1.03
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide with MolForge

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Related Compounds

N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-butylquinoline-8-sulfonamide
CID 2068304
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
CID 2056026
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide
CID 121122496
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 35524432
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide (CID 121137843) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide is CN(C)c1nc(CNS(=O)(=O)c2cccc3cccnc23)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is LSKICSCDIYTMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-23(2)16-20-14(21-17(22-16)24(3)4)11-19-27(25,26)13-9-5-7-12-8-6-10-18-15(12)13/h5-10,19H,11H2,1-4H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.03, 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]quinoline-8-sulfonamide is sourced from PubChem (CID 121137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).