N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C17H28N8O3S — CID 122254936

IUPACN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)c1C
InChIInChI=1S/C17H28N8O3S/c1-6-25-13(3)15(12(2)22-25)29(26,27)18-11-14-19-16(23(4)5)21-17(20-14)24-7-9-28-10-8-24/h18H,6-11H2,1-5H3
InChIKeyYPCUNEYFAAEJTN-UHFFFAOYSA-N
MW424.53 g/mol
LogP0.09
Rot. Bonds7

About N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 122254936) has the molecular formula C17H28N8O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID122254936
Molecular FormulaC17H28N8O3S
Molecular Weight424.53 g/mol
Exact Mass424.20
IUPAC NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)c1C
InChIInChI=1S/C17H28N8O3S/c1-6-25-13(3)15(12(2)22-25)29(26,27)18-11-14-19-16(23(4)5)21-17(20-14)24-7-9-28-10-8-24/h18H,6-11H2,1-5H3
InChIKeyYPCUNEYFAAEJTN-UHFFFAOYSA-N
XLogP0.09
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 122254927
1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 122353575
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 119099669
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122252847
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122254931
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122254225
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 122254665
3-cyclohexyl-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]propanamide
CID 122254698
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(4-ethylphenyl)urea
CID 122254744
1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122295568
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122254876

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 122254936) is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)c1C.
What is the InChIKey of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is YPCUNEYFAAEJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O3S/c1-6-25-13(3)15(12(2)22-25)29(26,27)18-11-14-19-16(23(4)5)21-17(20-14)24-7-9-28-10-8-24/h18H,6-11H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 424.53 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 122254936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).