4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C9H18F3N3O2S — CID 107160183

IUPAC4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC1(CN)CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-8(6-13)2-4-15(5-3-8)18(16,17)14-7-9(10,11)12/h14H,2-7,13H2,1H3
InChIKeyFCHLQSJRMUEHBL-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.44
Rot. Bonds4

About 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 107160183) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID107160183
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC1(CN)CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-8(6-13)2-4-15(5-3-8)18(16,17)14-7-9(10,11)12/h14H,2-7,13H2,1H3
InChIKeyFCHLQSJRMUEHBL-UHFFFAOYSA-N
XLogP0.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-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 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 107160183) is 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CC1(CN)CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is FCHLQSJRMUEHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-8(6-13)2-4-15(5-3-8)18(16,17)14-7-9(10,11)12/h14H,2-7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 107160183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).