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

C10H16F3N5O3S — CID 121137626

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCOc1nc(CNS(=O)(=O)CCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C10H16F3N5O3S/c1-18(2)8-15-7(16-9(17-8)21-3)6-14-22(19,20)5-4-10(11,12)13/h14H,4-6H2,1-3H3
InChIKeyZFLUUBWGXQYPMG-UHFFFAOYSA-N
MW343.33 g/mol
LogP0.32
Rot. Bonds7

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 121137626) has the molecular formula C10H16F3N5O3S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID121137626
Molecular FormulaC10H16F3N5O3S
Molecular Weight343.33 g/mol
Exact Mass343.09
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCOc1nc(CNS(=O)(=O)CCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C10H16F3N5O3S/c1-18(2)8-15-7(16-9(17-8)21-3)6-14-22(19,20)5-4-10(11,12)13/h14H,4-6H2,1-3H3
InChIKeyZFLUUBWGXQYPMG-UHFFFAOYSA-N
XLogP0.32
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide (CID 121137626) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide is COc1nc(CNS(=O)(=O)CCC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is ZFLUUBWGXQYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O3S/c1-18(2)8-15-7(16-9(17-8)21-3)6-14-22(19,20)5-4-10(11,12)13/h14H,4-6H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 343.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 121137626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).