N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide

C15H26N4O2S — CID 71978146

IUPACN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1nccc(N2CCCCC2CNS(C)(=O)=O)n1
InChIInChI=1S/C15H26N4O2S/c1-15(2,3)14-16-9-8-13(18-14)19-10-6-5-7-12(19)11-17-22(4,20)21/h8-9,12,17H,5-7,10-11H2,1-4H3
InChIKeyBJVPSLFFCQELAQ-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.68
Rot. Bonds4

About N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 71978146) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID71978146
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1nccc(N2CCCCC2CNS(C)(=O)=O)n1
InChIInChI=1S/C15H26N4O2S/c1-15(2,3)14-16-9-8-13(18-14)19-10-6-5-7-12(19)11-17-22(4,20)21/h8-9,12,17H,5-7,10-11H2,1-4H3
InChIKeyBJVPSLFFCQELAQ-UHFFFAOYSA-N
XLogP1.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
1-(2-Methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride
CID 67342979
N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
CID 39999051
2-[4-[[Cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
CID 47064852
2-[3-[[Cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
CID 47065159
4-N-ethyl-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50960313
N-[1-(2-pyrimidinyl)-3-piperidinyl]-1-azepanesulfonamide
CID 56899450
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(piperidin-1-yl)pyrimidine
CID 70703102
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
2-(Piperidin-1-yl)-4-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 70703711

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide (CID 71978146) is N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide is CC(C)(C)c1nccc(N2CCCCC2CNS(C)(=O)=O)n1.
What is the InChIKey of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is BJVPSLFFCQELAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-15(2,3)14-16-9-8-13(18-14)19-10-6-5-7-12(19)11-17-22(4,20)21/h8-9,12,17H,5-7,10-11H2,1-4H3.
What are the key properties of N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71978146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).