N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

C13H22N4O2S — CID 50972218

IUPACN-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCCc1cnc(C)nc1N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-11-9-14-10(2)15-13(11)17-7-5-12(6-8-17)16-20(3,18)19/h9,12,16H,4-8H2,1-3H3
InChIKeyAARFWMGLGWNBCO-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.87
Rot. Bonds4

About N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide

N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 50972218) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
PubChem CID50972218
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
SMILESCCc1cnc(C)nc1N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-11-9-14-10(2)15-13(11)17-7-5-12(6-8-17)16-20(3,18)19/h9,12,16H,4-8H2,1-3H3
InChIKeyAARFWMGLGWNBCO-UHFFFAOYSA-N
XLogP0.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 165433268
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 72907206
N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 118640013
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
CID 50972909
5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 56714796
N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
CID 114238187
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine
CID 72853172

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide (CID 50972218) is N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is CCc1cnc(C)nc1N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is AARFWMGLGWNBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-11-9-14-10(2)15-13(11)17-7-5-12(6-8-17)16-20(3,18)19/h9,12,16H,4-8H2,1-3H3.
What are the key properties of N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 50972218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).