N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide

C15H26N4O3S — CID 24732397

IUPACN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CCN(c2nc(C)cc(C)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-12-11-13(2)17-15(16-12)18-7-5-14(6-8-18)19(9-10-22-3)23(4,20)21/h11,14H,5-10H2,1-4H3
InChIKeyRNMKILJSLMOTBZ-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.97
Rot. Bonds6

About N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide

N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 24732397) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide
PubChem CID24732397
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CCN(c2nc(C)cc(C)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-12-11-13(2)17-15(16-12)18-7-5-14(6-8-18)19(9-10-22-3)23(4,20)21/h11,14H,5-10H2,1-4H3
InChIKeyRNMKILJSLMOTBZ-UHFFFAOYSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-Dimethylpyrimidin-2-yl)morpholine
CID 676802
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 1646798
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
Morpholine, 4-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
CID 3021602
2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 50957598
4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 75423985
4,6-Dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 84590089
4-[2-(4,6-Dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110250316
4-Methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 110258062
N-(4,6-Dimethyl-2-pyrimidinyl)-N'-[2-(4-morpholinyl)ethyl]guanidine
CID 3145920
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide
CID 591014
4,6-Dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 1455375

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide (CID 24732397) is N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide is COCCN(C1CCN(c2nc(C)cc(C)n2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is RNMKILJSLMOTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-12-11-13(2)17-15(16-12)18-7-5-14(6-8-18)19(9-10-22-3)23(4,20)21/h11,14H,5-10H2,1-4H3.
What are the key properties of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 24732397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).