N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide

C20H32N8O2S — CID 22254021

IUPACN-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide
SMILESCCNc1nc(NCC)nc(NCC2CCC(CNS(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C20H32N8O2S/c1-3-22-18-26-19(23-4-2)28-20(27-18)24-12-15-7-9-16(10-8-15)13-25-31(29,30)17-6-5-11-21-14-17/h5-6,11,14-16,25H,3-4,7-10,12-13H2,1-2H3,(H3,22,23,24,26,27,28)
InChIKeyFITFZANHYZHSPK-UHFFFAOYSA-N
MW448.60 g/mol
LogP2.33
Rot. Bonds11

About N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide

N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide (PubChem CID 22254021) has the molecular formula C20H32N8O2S and a molecular weight of 448.60 g/mol. Its IUPAC name is N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide
PubChem CID22254021
Molecular FormulaC20H32N8O2S
Molecular Weight448.60 g/mol
Exact Mass448.24
IUPAC NameN-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide
SMILESCCNc1nc(NCC)nc(NCC2CCC(CNS(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C20H32N8O2S/c1-3-22-18-26-19(23-4-2)28-20(27-18)24-12-15-7-9-16(10-8-15)13-25-31(29,30)17-6-5-11-21-14-17/h5-6,11,14-16,25H,3-4,7-10,12-13H2,1-2H3,(H3,22,23,24,26,27,28)
InChIKeyFITFZANHYZHSPK-UHFFFAOYSA-N
XLogP2.33
TPSA133.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
CID 12072017
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-2H-benzimidazole-5-sulfonamide
CID 20590350
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
N-propylpyridine-3-sulfonamide
CID 43258995
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
CID 119647156
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide (CID 22254021) is N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide is CCNc1nc(NCC)nc(NCC2CCC(CNS(=O)(=O)c3cccnc3)CC2)n1.
What is the InChIKey of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide?
The InChIKey is FITFZANHYZHSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8O2S/c1-3-22-18-26-19(23-4-2)28-20(27-18)24-12-15-7-9-16(10-8-15)13-25-31(29,30)17-6-5-11-21-14-17/h5-6,11,14-16,25H,3-4,7-10,12-13H2,1-2H3,(H3,22,23,24,26,27,28).
What are the key properties of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide?
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide has a molecular weight of 448.60 g/mol, XLogP of 2.33, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 22254021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).