N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide

C14H19F3N4O2S — CID 121019486

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1nc(N2CCC(NS(=O)(=O)C3CC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4O2S/c1-9-18-12(14(15,16)17)8-13(19-9)21-6-4-10(5-7-21)20-24(22,23)11-2-3-11/h8,10-11,20H,2-7H2,1H3
InChIKeyPUVRLGCYMUYTBT-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.85
Rot. Bonds4

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 121019486) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
PubChem CID121019486
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1nc(N2CCC(NS(=O)(=O)C3CC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4O2S/c1-9-18-12(14(15,16)17)8-13(19-9)21-6-4-10(5-7-21)20-24(22,23)11-2-3-11/h8,10-11,20H,2-7H2,1H3
InChIKeyPUVRLGCYMUYTBT-UHFFFAOYSA-N
XLogP1.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 36721945
N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 40104034
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}butane-1-sulfonamide
CID 71797010
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
4-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 91631573
2-Methyl-4-(4-(methylsulfonyl)piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 91631624
N-ethyl-6-methyl-2-(4-(propylsulfonyl)piperazin-1-yl)pyrimidin-4-amine
CID 31481356
N-{[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methyl}methanesulfonamide
CID 73167998
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 45808518
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
CID 51079461

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide (CID 121019486) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide is Cc1nc(N2CCC(NS(=O)(=O)C3CC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is PUVRLGCYMUYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c1-9-18-12(14(15,16)17)8-13(19-9)21-6-4-10(5-7-21)20-24(22,23)11-2-3-11/h8,10-11,20H,2-7H2,1H3.
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 364.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 121019486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).