N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide

C13H19F3N4O2S — CID 56863350

IUPACN-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O2S/c1-23(21,22)19-11-4-8-20(9-5-11)12-17-7-3-10(18-12)2-6-13(14,15)16/h3,7,11,19H,2,4-6,8-9H2,1H3
InChIKeyDMGGVNOCXHAERG-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.49
Rot. Bonds5

About N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide

N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 56863350) has the molecular formula C13H19F3N4O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID56863350
Molecular FormulaC13H19F3N4O2S
Molecular Weight352.38 g/mol
Exact Mass352.12
IUPAC NameN-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O2S/c1-23(21,22)19-11-4-8-20(9-5-11)12-17-7-3-10(18-12)2-6-13(14,15)16/h3,7,11,19H,2,4-6,8-9H2,1H3
InChIKeyDMGGVNOCXHAERG-UHFFFAOYSA-N
XLogP1.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(3,3,3-trifluoropropyl)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

Related Compounds

N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877238
4-(1-Methylsulfonylpiperidin-4-yl)pyrimidine
CID 95805182
N-(1-ethylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 36721945
(1R*,3R*)-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 56743877
cis-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 56864169
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide
CID 73439009
N,N-dimethyl-3-pyrimidin-4-ylpiperidine-1-sulfonamide
CID 73439495
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960355
N-{1-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]piperidin-4-YL}pyrimidin-2-amine
CID 56861058
Ethyl 4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}piperidine-1-carboxylate
CID 56861108
2-[3-(2-Methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56861551

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (CID 56863350) is N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is DMGGVNOCXHAERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2S/c1-23(21,22)19-11-4-8-20(9-5-11)12-17-7-3-10(18-12)2-6-13(14,15)16/h3,7,11,19H,2,4-6,8-9H2,1H3.
What are the key properties of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 352.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 56863350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).