2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide

C17H26F3N3O2S — CID 59231622

IUPAC2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(Nc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C17H26F3N3O2S/c1-16(2,3)26(24,25)22-11-12-4-6-14(7-5-12)23-15-10-13(8-9-21-15)17(18,19)20/h8-10,12,14,22H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyFYFGYPKNNUSOCY-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide

2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 59231622) has the molecular formula C17H26F3N3O2S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID59231622
Molecular FormulaC17H26F3N3O2S
Molecular Weight393.48 g/mol
Exact Mass393.17
IUPAC Name2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(Nc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C17H26F3N3O2S/c1-16(2,3)26(24,25)22-11-12-4-6-14(7-5-12)23-15-10-13(8-9-21-15)17(18,19)20/h8-10,12,14,22H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyFYFGYPKNNUSOCY-UHFFFAOYSA-N
XLogP3.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide with MolForge

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Related Compounds

2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59230681
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027
N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide
CID 59231359
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59231557
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 66331048
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106124330
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
N-(2-ethylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 103736545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 59231622) is 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1CCC(Nc2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is FYFGYPKNNUSOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O2S/c1-16(2,3)26(24,25)22-11-12-4-6-14(7-5-12)23-15-10-13(8-9-21-15)17(18,19)20/h8-10,12,14,22H,4-7,11H2,1-3H3,(H,21,23).
What are the key properties of 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 393.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 59231622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).