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

C19H19N3O3S — CID 71799155

IUPAC2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H19N3O3S/c23-26(24,18-7-6-15-4-1-2-5-16(15)14-18)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h1-7,10-11,14,17H,8-9,12-13H2
InChIKeyFSCLROJVRYMHAO-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.86
Rot. Bonds4

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

2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 71799155) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID71799155
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H19N3O3S/c23-26(24,18-7-6-15-4-1-2-5-16(15)14-18)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h1-7,10-11,14,17H,8-9,12-13H2
InChIKeyFSCLROJVRYMHAO-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

[1-(Naphthalene-2-sulfonyl)-piperidin-4-yl]-(4-pyrimidin-2-yl-piperazin-1-yl)-methanone
CID 649950
4-[5-Bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 134148351
N-(4-methyl-2-pyrimidinyl)-2-naphthalenesulfonamide
CID 849634
2-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 6469332
(2,4-Diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate
CID 46888231
2-((1-((5,6,7,8-Tetrahydronaphthalen-2-yl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 71799156
5-bromo-2-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 129526727
2,2,2-Trifluoro-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]ethanol
CID 69412906
2-[4-(Naphthalene-2-sulfonyl)piperazin-1-yl]pyrimidine
CID 1241437
1-(Naphthylsulfonyl)-4-pyrimidin-2-ylpiperazine
CID 43816312
2-(Pyrimidin-2-yloxymethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylmorpholine
CID 3846157
2-(4-Naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 31535518

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine (CID 71799155) is 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine is O=S(=O)(c1ccc2ccccc2c1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is FSCLROJVRYMHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,18-7-6-15-4-1-2-5-16(15)14-18)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h1-7,10-11,14,17H,8-9,12-13H2.
What are the key properties of 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
2-(1-naphthalen-2-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 2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 71799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).