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

C16H26N8O3S — CID 122254927

IUPACN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H26N8O3S/c1-11-14(12(2)23(5)21-11)28(25,26)17-10-13-18-15(22(3)4)20-16(19-13)24-6-8-27-9-7-24/h17H,6-10H2,1-5H3
InChIKeyDZMAASONISVZRP-UHFFFAOYSA-N
MW410.50 g/mol
LogP-0.40
Rot. Bonds6

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

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 122254927) has the molecular formula C16H26N8O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID122254927
Molecular FormulaC16H26N8O3S
Molecular Weight410.50 g/mol
Exact Mass410.18
IUPAC NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H26N8O3S/c1-11-14(12(2)23(5)21-11)28(25,26)17-10-13-18-15(22(3)4)20-16(19-13)24-6-8-27-9-7-24/h17H,6-10H2,1-5H3
InChIKeyDZMAASONISVZRP-UHFFFAOYSA-N
XLogP-0.40
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 122254927) is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DZMAASONISVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O3S/c1-11-14(12(2)23(5)21-11)28(25,26)17-10-13-18-15(22(3)4)20-16(19-13)24-6-8-27-9-7-24/h17H,6-10H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 410.50 g/mol, XLogP of -0.40, 6 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]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 122254927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).