N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide

C16H26N4O5S — CID 167117729

IUPACN-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide
SMILESCOC[C@H]1C(NS(C)(=O)=O)CCCN1C(=O)COc1ncnc(C)c1C
InChIInChI=1S/C16H26N4O5S/c1-11-12(2)17-10-18-16(11)25-9-15(21)20-7-5-6-13(14(20)8-24-3)19-26(4,22)23/h10,13-14,19H,5-9H2,1-4H3/t13?,14-/m0/s1
InChIKeyRYTQDHRENPYXLN-KZUDCZAMSA-N
MW386.47 g/mol
LogP0.03
Rot. Bonds7

About N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide

N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 167117729) has the molecular formula C16H26N4O5S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide
PubChem CID167117729
Molecular FormulaC16H26N4O5S
Molecular Weight386.47 g/mol
Exact Mass386.16
IUPAC NameN-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide
SMILESCOC[C@H]1C(NS(C)(=O)=O)CCCN1C(=O)COc1ncnc(C)c1C
InChIInChI=1S/C16H26N4O5S/c1-11-12(2)17-10-18-16(11)25-9-15(21)20-7-5-6-13(14(20)8-24-3)19-26(4,22)23/h10,13-14,19H,5-9H2,1-4H3/t13?,14-/m0/s1
InChIKeyRYTQDHRENPYXLN-KZUDCZAMSA-N
XLogP0.03
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

N-[2-(methoxymethyl)-1-[2-(3-methylpyrazin-2-yl)oxyacetyl]piperidin-3-yl]propane-2-sulfonamide
CID 167145758
N-[(3S)-1-[2-(2,4-dimethylphenoxy)acetyl]-2-(methoxymethyl)piperidin-3-yl]propane-2-sulfonamide
CID 167145793
methyl (2R,3S)-3-(methanesulfonamido)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 130310231
1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone
CID 134160668
N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-[2-(1,3-thiazol-2-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 130310216
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472018
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
N-[(2R,3S)-2-[[1-(2-fluorophenyl)piperidin-4-yl]oxymethyl]-1-(2-hydroxyacetyl)piperidin-3-yl]methanesulfonamide
CID 130310275
N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 137440626
2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid
CID 94075183
methyl (2R,3S)-2-[[4-(2,6-difluorophenyl)cyclohexyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 130310270

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide (CID 167117729) is N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide is COC[C@H]1C(NS(C)(=O)=O)CCCN1C(=O)COc1ncnc(C)c1C.
What is the InChIKey of N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is RYTQDHRENPYXLN-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H26N4O5S/c1-11-12(2)17-10-18-16(11)25-9-15(21)20-7-5-6-13(14(20)8-24-3)19-26(4,22)23/h10,13-14,19H,5-9H2,1-4H3/t13?,14-/m0/s1.
What are the key properties of N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide?
N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 167117729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).