2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine

C18H23N3O3S — CID 122261115

IUPAC2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
SMILESCc1cccc(CS(=O)(=O)N2CCCC(Oc3ccnc(C)n3)C2)c1
InChIInChI=1S/C18H23N3O3S/c1-14-5-3-6-16(11-14)13-25(22,23)21-10-4-7-17(12-21)24-18-8-9-19-15(2)20-18/h3,5-6,8-9,11,17H,4,7,10,12-13H2,1-2H3
InChIKeyFHAMGPGQLUHCDR-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine

2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine (PubChem CID 122261115) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
PubChem CID122261115
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
SMILESCc1cccc(CS(=O)(=O)N2CCCC(Oc3ccnc(C)n3)C2)c1
InChIInChI=1S/C18H23N3O3S/c1-14-5-3-6-16(11-14)13-25(22,23)21-10-4-7-17(12-21)24-18-8-9-19-15(2)20-18/h3,5-6,8-9,11,17H,4,7,10,12-13H2,1-2H3
InChIKeyFHAMGPGQLUHCDR-UHFFFAOYSA-N
XLogP2.47
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261146
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
2-methyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261104
2-[1-[(3-methylphenyl)methylsulfonyl]azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252154
4-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260610
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
5-bromo-2-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methoxy]pyrimidine
CID 138988558
3-methyl-6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridazine
CID 90559757
N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122261147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine?
The IUPAC name of 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine (CID 122261115) is 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine?
The canonical SMILES for 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine is Cc1cccc(CS(=O)(=O)N2CCCC(Oc3ccnc(C)n3)C2)c1.
What is the InChIKey of 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine?
The InChIKey is FHAMGPGQLUHCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-5-3-6-16(11-14)13-25(22,23)21-10-4-7-17(12-21)24-18-8-9-19-15(2)20-18/h3,5-6,8-9,11,17H,4,7,10,12-13H2,1-2H3.
What are the key properties of 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine?
2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine has a molecular weight of 361.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122261115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).