N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide

C12H17F3N4O2S — CID 42960355

IUPACN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4O2S/c1-22(20,21)17-7-9-3-2-6-19(8-9)11-16-5-4-10(18-11)12(13,14)15/h4-5,9,17H,2-3,6-8H2,1H3
InChIKeyJSAIVFWBYVKTNW-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.26
Rot. Bonds4

About N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 42960355) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID42960355
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4O2S/c1-22(20,21)17-7-9-3-2-6-19(8-9)11-16-5-4-10(18-11)12(13,14)15/h4-5,9,17H,2-3,6-8H2,1H3
InChIKeyJSAIVFWBYVKTNW-UHFFFAOYSA-N
XLogP1.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide 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-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 42960355) is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is JSAIVFWBYVKTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-22(20,21)17-7-9-3-2-6-19(8-9)11-16-5-4-10(18-11)12(13,14)15/h4-5,9,17H,2-3,6-8H2,1H3.
What are the key properties of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 338.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 42960355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).