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

C19H19N3O3S — CID 121162287

IUPAC4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C19H19N3O3S/c23-26(24,18-7-3-5-15-4-1-2-6-17(15)18)22-12-9-16(10-13-22)25-19-8-11-20-14-21-19/h1-8,11,14,16H,9-10,12-13H2
InChIKeyURJPAMKMHIJYAE-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.86
Rot. Bonds4

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

4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 121162287) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID121162287
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C19H19N3O3S/c23-26(24,18-7-3-5-15-4-1-2-6-17(15)18)22-12-9-16(10-13-22)25-19-8-11-20-14-21-19/h1-8,11,14,16H,9-10,12-13H2
InChIKeyURJPAMKMHIJYAE-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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Frequently Asked Questions

What is the IUPAC name of 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine (CID 121162287) is 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine is O=S(=O)(c1cccc2ccccc12)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is URJPAMKMHIJYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,18-7-3-5-15-4-1-2-6-17(15)18)22-12-9-16(10-13-22)25-19-8-11-20-14-21-19/h1-8,11,14,16H,9-10,12-13H2.
What are the key properties of 4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
4-(1-naphthalen-1-ylsulfonylpiperidin-4-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-1-ylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 121162287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).