2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine

C17H21N3O4S — CID 90558894

IUPAC2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-23-14-4-6-16(7-5-14)25(21,22)20-12-8-15(9-13-20)24-17-18-10-3-11-19-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3
InChIKeyDREYBZKVSZLGIZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine

2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (PubChem CID 90558894) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
PubChem CID90558894
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-23-14-4-6-16(7-5-14)25(21,22)20-12-8-15(9-13-20)24-17-18-10-3-11-19-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3
InChIKeyDREYBZKVSZLGIZ-UHFFFAOYSA-N
XLogP2.11
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992789
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
4-(diethoxyphosphorylmethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine
CID 141058059
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 154581921

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (CID 90558894) is 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is CCOc1ccc(S(=O)(=O)N2CCC(Oc3ncccn3)CC2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The InChIKey is DREYBZKVSZLGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-2-23-14-4-6-16(7-5-14)25(21,22)20-12-8-15(9-13-20)24-17-18-10-3-11-19-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine has a molecular weight of 363.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 90558894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).