N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide

C16H28N4O2S — CID 84587550

IUPACN-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide
SMILESCc1nc(C)c(C)c(N2CCCC(CNS(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C16H28N4O2S/c1-11(2)23(21,22)17-9-15-7-6-8-20(10-15)16-12(3)13(4)18-14(5)19-16/h11,15,17H,6-10H2,1-5H3
InChIKeyRENYYFSFGYALLY-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.95
Rot. Bonds5

About N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide

N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide (PubChem CID 84587550) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide
PubChem CID84587550
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide
SMILESCc1nc(C)c(C)c(N2CCCC(CNS(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C16H28N4O2S/c1-11(2)23(21,22)17-9-15-7-6-8-20(10-15)16-12(3)13(4)18-14(5)19-16/h11,15,17H,6-10H2,1-5H3
InChIKeyRENYYFSFGYALLY-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 96546219
N-[[(3R)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 96546218
N-[[(3R)-1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 52539420
[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 55230644
N-[[1-(3,4,4-trimethylpent-2-enoyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 127265050
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587609
N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide
CID 49449909
N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide
CID 25044705
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114787661
3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600949
N-(2,3-dimethylcyclohexyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propanamide
CID 47088216

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide (CID 84587550) is N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide is Cc1nc(C)c(C)c(N2CCCC(CNS(=O)(=O)C(C)C)C2)n1.
What is the InChIKey of N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide?
The InChIKey is RENYYFSFGYALLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-11(2)23(21,22)17-9-15-7-6-8-20(10-15)16-12(3)13(4)18-14(5)19-16/h11,15,17H,6-10H2,1-5H3.
What are the key properties of N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide?
N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 84587550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).