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

C16H28N4O2S — CID 75379307

IUPACN-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCC(C)(C)c1nccc(N2CCCCC2CCNS(C)(=O)=O)n1
InChIInChI=1S/C16H28N4O2S/c1-16(2,3)15-17-10-9-14(19-15)20-12-6-5-7-13(20)8-11-18-23(4,21)22/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyZCEQIXCHTZOQMR-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.07
Rot. Bonds5

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

N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 75379307) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID75379307
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCC(C)(C)c1nccc(N2CCCCC2CCNS(C)(=O)=O)n1
InChIInChI=1S/C16H28N4O2S/c1-16(2,3)15-17-10-9-14(19-15)20-12-6-5-7-13(20)8-11-18-23(4,21)22/h9-10,13,18H,5-8,11-12H2,1-4H3
InChIKeyZCEQIXCHTZOQMR-UHFFFAOYSA-N
XLogP2.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride
CID 67342979
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
1-Methylsulfonyl-2-(1-pyrimidin-2-ylpiperidin-4-yl)azepane
CID 53604068
N-[1-(2-pyrimidinyl)-3-piperidinyl]-1-azepanesulfonamide
CID 56899450
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(piperidin-1-yl)pyrimidine
CID 70703102
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 71978146
N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 110259041
N-{1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-3-piperidyl}methanesulfonamide
CID 53185808
N'-methyl-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hexane-1,6-diamine
CID 53315801
N-{1-[6-(dimethylamino)-4-pyrimidinyl]-3-piperidyl}methanesulfonamide
CID 53185788

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide (CID 75379307) is N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide is CC(C)(C)c1nccc(N2CCCCC2CCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is ZCEQIXCHTZOQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-16(2,3)15-17-10-9-14(19-15)20-12-6-5-7-13(20)8-11-18-23(4,21)22/h9-10,13,18H,5-8,11-12H2,1-4H3.
What are the key properties of N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 75379307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).