5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine

C21H23N3O3S — CID 122268448

IUPAC5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)nc1
InChIInChI=1S/C21H23N3O3S/c1-2-16-13-22-21(23-14-16)27-18-9-6-12-24(15-18)28(25,26)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3
InChIKeyBQZJQWFLXRGFKC-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.42
Rot. Bonds5

About 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine

5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine (PubChem CID 122268448) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
PubChem CID122268448
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)nc1
InChIInChI=1S/C21H23N3O3S/c1-2-16-13-22-21(23-14-16)27-18-9-6-12-24(15-18)28(25,26)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3
InChIKeyBQZJQWFLXRGFKC-UHFFFAOYSA-N
XLogP3.42
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine (CID 122268448) is 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine is CCc1cnc(OC2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)nc1.
What is the InChIKey of 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The InChIKey is BQZJQWFLXRGFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-16-13-22-21(23-14-16)27-18-9-6-12-24(15-18)28(25,26)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3.
What are the key properties of 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine?
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine has a molecular weight of 397.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 122268448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).