4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

C18H23N3O4S — CID 122260123

IUPAC4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(Oc3ccncn3)C2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-3-24-17-7-6-16(11-14(17)2)26(22,23)21-10-4-5-15(12-21)25-18-8-9-19-13-20-18/h6-9,11,13,15H,3-5,10,12H2,1-2H3
InChIKeyIJXVBIBUEGGZPN-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.42
Rot. Bonds6

About 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122260123) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122260123
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(Oc3ccncn3)C2)cc1C
InChIInChI=1S/C18H23N3O4S/c1-3-24-17-7-6-16(11-14(17)2)26(22,23)21-10-4-5-15(12-21)25-18-8-9-19-13-20-18/h6-9,11,13,15H,3-5,10,12H2,1-2H3
InChIKeyIJXVBIBUEGGZPN-UHFFFAOYSA-N
XLogP2.42
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7393870
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
2-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892680
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 72718850
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122260123) is 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is CCOc1ccc(S(=O)(=O)N2CCCC(Oc3ccncn3)C2)cc1C.
What is the InChIKey of 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is IJXVBIBUEGGZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-24-17-7-6-16(11-14(17)2)26(22,23)21-10-4-5-15(12-21)25-18-8-9-19-13-20-18/h6-9,11,13,15H,3-5,10,12H2,1-2H3.
What are the key properties of 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 377.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122260123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).