4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine

C19H19N3O3S — CID 122260073

IUPAC4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C19H19N3O3S/c23-26(24,18-8-7-15-4-1-2-5-16(15)12-18)22-11-3-6-17(13-22)25-19-9-10-20-14-21-19/h1-2,4-5,7-10,12,14,17H,3,6,11,13H2
InChIKeyWUNOYMCHYJKFTG-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.86
Rot. Bonds4

About 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine

4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine (PubChem CID 122260073) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
PubChem CID122260073
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C19H19N3O3S/c23-26(24,18-8-7-15-4-1-2-5-16(15)12-18)22-11-3-6-17(13-22)25-19-9-10-20-14-21-19/h1-2,4-5,7-10,12,14,17H,3,6,11,13H2
InChIKeyWUNOYMCHYJKFTG-UHFFFAOYSA-N
XLogP2.86
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
CID 89245431
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122161105
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162300
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096

Frequently Asked Questions

What is the IUPAC name of 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine (CID 122260073) is 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine is O=S(=O)(c1ccc2ccccc2c1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The InChIKey is WUNOYMCHYJKFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,18-8-7-15-4-1-2-5-16(15)12-18)22-11-3-6-17(13-22)25-19-9-10-20-14-21-19/h1-2,4-5,7-10,12,14,17H,3,6,11,13H2.
What are the key properties of 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine has a molecular weight of 369.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 122260073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).