2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine

C19H25N3O3S — CID 122268391

IUPAC2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3ccc(C)cc3C)C2)nc1
InChIInChI=1S/C19H25N3O3S/c1-4-16-11-20-19(21-12-16)25-17-6-5-9-22(13-17)26(23,24)18-8-7-14(2)10-15(18)3/h7-8,10-12,17H,4-6,9,13H2,1-3H3
InChIKeyITVCJUVMNYCIHN-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.89
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine

2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine (PubChem CID 122268391) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
PubChem CID122268391
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3ccc(C)cc3C)C2)nc1
InChIInChI=1S/C19H25N3O3S/c1-4-16-11-20-19(21-12-16)25-17-6-5-9-22(13-17)26(23,24)18-8-7-14(2)10-15(18)3/h7-8,10-12,17H,4-6,9,13H2,1-3H3
InChIKeyITVCJUVMNYCIHN-UHFFFAOYSA-N
XLogP2.89
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268440
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448
5-ethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268466
methyl 3-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-4-methoxybenzoate
CID 122268483
methyl 3-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 122268434
5-ethyl-2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268482
4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260571
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268447
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
6-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122268486
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine (CID 122268391) is 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine is CCc1cnc(OC2CCCN(S(=O)(=O)c3ccc(C)cc3C)C2)nc1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
The InChIKey is ITVCJUVMNYCIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-16-11-20-19(21-12-16)25-17-6-5-9-22(13-17)26(23,24)18-8-7-14(2)10-15(18)3/h7-8,10-12,17H,4-6,9,13H2,1-3H3.
What are the key properties of 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine has a molecular weight of 375.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine is sourced from PubChem (CID 122268391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).