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

C12H17F3N4O2S — CID 48736158

IUPACN-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCN(C1CCN(c2nccc(C(F)(F)F)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C12H17F3N4O2S/c1-18(22(2,20)21)9-4-7-19(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyOHJCDQCHEQYXPJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.36
Rot. Bonds3

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

N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 48736158) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID48736158
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC NameN-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCN(C1CCN(c2nccc(C(F)(F)F)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C12H17F3N4O2S/c1-18(22(2,20)21)9-4-7-19(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyOHJCDQCHEQYXPJ-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 36615862
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide
CID 171996749
N-methyl-N-[(4R)-1-pyrimidin-2-ylazepan-4-yl]methanesulfonamide
CID 95811456
1-cyclopropylsulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 154580992
2-[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 59177746
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 51104267
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
3-methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 56816452

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide (CID 48736158) is N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is CN(C1CCN(c2nccc(C(F)(F)F)n2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is OHJCDQCHEQYXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-18(22(2,20)21)9-4-7-19(8-5-9)11-16-6-3-10(17-11)12(13,14)15/h3,6,9H,4-5,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide?
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 338.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 48736158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).