N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide

C10H15F3N4O2S — CID 106343111

IUPACN-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
SMILESCNc1cc(C(F)(F)F)cc(NCCS(=O)(=O)NC)n1
InChIInChI=1S/C10H15F3N4O2S/c1-14-8-5-7(10(11,12)13)6-9(17-8)16-3-4-20(18,19)15-2/h5-6,15H,3-4H2,1-2H3,(H2,14,16,17)
InChIKeyTUAABYQKNXVODM-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.10
Rot. Bonds6

About N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide

N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide (PubChem CID 106343111) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
PubChem CID106343111
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
SMILESCNc1cc(C(F)(F)F)cc(NCCS(=O)(=O)NC)n1
InChIInChI=1S/C10H15F3N4O2S/c1-14-8-5-7(10(11,12)13)6-9(17-8)16-3-4-20(18,19)15-2/h5-6,15H,3-4H2,1-2H3,(H2,14,16,17)
InChIKeyTUAABYQKNXVODM-UHFFFAOYSA-N
XLogP1.10
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343260
5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 106241553
6-N-(2-cyclopentylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717681
1,1-dimethyl-3-[2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 102719106
N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343096
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341549
2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
CID 102719042
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719521
2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114276539
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide (CID 106343111) is N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide is CNc1cc(C(F)(F)F)cc(NCCS(=O)(=O)NC)n1.
What is the InChIKey of N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
The InChIKey is TUAABYQKNXVODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-14-8-5-7(10(11,12)13)6-9(17-8)16-3-4-20(18,19)15-2/h5-6,15H,3-4H2,1-2H3,(H2,14,16,17).
What are the key properties of N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide?
N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide has a molecular weight of 312.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide is sourced from PubChem (CID 106343111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).