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

C9H18F3N3O2S — CID 114811228

IUPAC4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCNC1(C)CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-8(13-2)3-5-15(6-4-8)18(16,17)14-7-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeySHSDUDCSEITPIK-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.46
Rot. Bonds4

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

4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 114811228) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID114811228
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCNC1(C)CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-8(13-2)3-5-15(6-4-8)18(16,17)14-7-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeySHSDUDCSEITPIK-UHFFFAOYSA-N
XLogP0.46
TPSA61.44 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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-(methylamino)-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-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 114811228) is 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CNC1(C)CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is SHSDUDCSEITPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-8(13-2)3-5-15(6-4-8)18(16,17)14-7-9(10,11)12/h13-14H,3-7H2,1-2H3.
What are the key properties of 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114811228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).