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

C11H15F3N4O2S — CID 56788902

IUPAC[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4O2S/c12-11(13,14)9-1-4-16-10(17-9)18-5-2-8(3-6-18)7-21(15,19)20/h1,4,8H,2-3,5-7H2,(H2,15,19,20)
InChIKeySBCRFTNKHHLLBQ-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.00
Rot. Bonds3

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

[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 56788902) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID56788902
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4O2S/c12-11(13,14)9-1-4-16-10(17-9)18-5-2-8(3-6-18)7-21(15,19)20/h1,4,8H,2-3,5-7H2,(H2,15,19,20)
InChIKeySBCRFTNKHHLLBQ-UHFFFAOYSA-N
XLogP1.00
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]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 [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (CID 56788902) is [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is SBCRFTNKHHLLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c12-11(13,14)9-1-4-16-10(17-9)18-5-2-8(3-6-18)7-21(15,19)20/h1,4,8H,2-3,5-7H2,(H2,15,19,20).
What are the key properties of [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 324.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 56788902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).