2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine

C17H27N3O3S — CID 164630886

IUPAC2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C17H27N3O3S/c1-13-11-14(2)19-17(18-13)23-15-7-6-10-20(12-15)24(21,22)16-8-4-3-5-9-16/h11,15-16H,3-10,12H2,1-2H3/t15-/m0/s1
InChIKeyDFGOCMWGLHSMGT-HNNXBMFYSA-N
MW353.49 g/mol
LogP2.60
Rot. Bonds4

About 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine

2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (PubChem CID 164630886) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
PubChem CID164630886
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C17H27N3O3S/c1-13-11-14(2)19-17(18-13)23-15-7-6-10-20(12-15)24(21,22)16-8-4-3-5-9-16/h11,15-16H,3-10,12H2,1-2H3/t15-/m0/s1
InChIKeyDFGOCMWGLHSMGT-HNNXBMFYSA-N
XLogP2.60
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethyl-2-((1-((3,3,3-trifluoropropyl)sulfonyl)pyrrolidin-3-yl)oxy)pyrimidine
CID 119100370
2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355518
4-[4-[Fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine
CID 145100395
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 92099131
4,6-Dimethyl-2-((1-((3,3,3-trifluoropropyl)sulfonyl)piperidin-3-yl)oxy)pyrimidine
CID 122258222
2-((1-(Cyclohexylsulfonyl)piperidin-3-yl)oxy)-4-(trifluoromethyl)pyrimidine
CID 122267856
4,6-dimethyl-2-[(3R)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
CID 129356368
4,6-dimethyl-2-[(3S)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
CID 129356369
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)methanesulfonamide
CID 24732397
4-{4-Ethyl-6-[4-(ethylsulfonyl)piperazin-1-yl]pyrimidin-2-yl}morpholine
CID 50972329
4-[(2-Ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine
CID 69292142
4-[(2-Hexylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine
CID 69293266

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (CID 164630886) is 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)n1.
What is the InChIKey of 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The InChIKey is DFGOCMWGLHSMGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-11-14(2)19-17(18-13)23-15-7-6-10-20(12-15)24(21,22)16-8-4-3-5-9-16/h11,15-16H,3-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine has a molecular weight of 353.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is sourced from PubChem (CID 164630886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).