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

C11H19F3N6O2S — CID 122254129

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)CCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C11H19F3N6O2S/c1-19(2)9-16-8(17-10(18-9)20(3)4)7-15-23(21,22)6-5-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyKHNMPNBSLAFSCR-UHFFFAOYSA-N
MW356.37 g/mol
LogP0.38
Rot. Bonds7

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 122254129) has the molecular formula C11H19F3N6O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID122254129
Molecular FormulaC11H19F3N6O2S
Molecular Weight356.37 g/mol
Exact Mass356.12
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)CCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C11H19F3N6O2S/c1-19(2)9-16-8(17-10(18-9)20(3)4)7-15-23(21,22)6-5-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyKHNMPNBSLAFSCR-UHFFFAOYSA-N
XLogP0.38
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide (CID 122254129) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide is CN(C)c1nc(CNS(=O)(=O)CCC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is KHNMPNBSLAFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N6O2S/c1-19(2)9-16-8(17-10(18-9)20(3)4)7-15-23(21,22)6-5-11(12,13)14/h15H,5-7H2,1-4H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 356.37 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 122254129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).