N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

C19H34N6O3S — CID 110259592

IUPACN-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1
InChIInChI=1S/C19H34N6O3S/c1-7-24(8-2)29(27,28)25-12-10-9-11-17(25)19-20-16(14-23(6)15(3)26)13-18(21-19)22(4)5/h13,17H,7-12,14H2,1-6H3
InChIKeyCKSUOWSLQOFJRZ-UHFFFAOYSA-N
MW426.59 g/mol
LogP1.63
Rot. Bonds8

About N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (PubChem CID 110259592) has the molecular formula C19H34N6O3S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
PubChem CID110259592
Molecular FormulaC19H34N6O3S
Molecular Weight426.59 g/mol
Exact Mass426.24
IUPAC NameN-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1
InChIInChI=1S/C19H34N6O3S/c1-7-24(8-2)29(27,28)25-12-10-9-11-17(25)19-20-16(14-23(6)15(3)26)13-18(21-19)22(4)5/h13,17H,7-12,14H2,1-6H3
InChIKeyCKSUOWSLQOFJRZ-UHFFFAOYSA-N
XLogP1.63
TPSA89.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(dimethylamino)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624254
N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624253
N-[[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624317
N-[[2-[(2R)-1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624328
N-[[6-(dimethylamino)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259598
N-[[6-(dimethylamino)-2-[(2S)-1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624323
N-[[2-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624187
N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
CID 110259530
N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110092328
N-[[6-(dimethylamino)-2-[1-(3-methyl-1H-indole-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110092366
N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide
CID 110092483
N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125003728

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (CID 110259592) is N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is CCN(CC)S(=O)(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1.
What is the InChIKey of N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is CKSUOWSLQOFJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O3S/c1-7-24(8-2)29(27,28)25-12-10-9-11-17(25)19-20-16(14-23(6)15(3)26)13-18(21-19)22(4)5/h13,17H,7-12,14H2,1-6H3.
What are the key properties of N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 426.59 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 110259592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).