5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine

C13H14FN3O3S2 — CID 122258626

IUPAC5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESO=S(=O)(c1cccs1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN3O3S2/c14-10-7-15-13(16-8-10)20-11-3-1-5-17(9-11)22(18,19)12-4-2-6-21-12/h2,4,6-8,11H,1,3,5,9H2
InChIKeyPCKHUYZGTPQOII-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.91
Rot. Bonds4

About 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine

5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine (PubChem CID 122258626) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
PubChem CID122258626
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC Name5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESO=S(=O)(c1cccs1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN3O3S2/c14-10-7-15-13(16-8-10)20-11-3-1-5-17(9-11)22(18,19)12-4-2-6-21-12/h2,4,6-8,11H,1,3,5,9H2
InChIKeyPCKHUYZGTPQOII-UHFFFAOYSA-N
XLogP1.91
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 129355039
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 122258636
3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100652937
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 122267264
5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258659
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100778
5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259163
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 122267256
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine (CID 122258626) is 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine is O=S(=O)(c1cccs1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
The InChIKey is PCKHUYZGTPQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c14-10-7-15-13(16-8-10)20-11-3-1-5-17(9-11)22(18,19)12-4-2-6-21-12/h2,4,6-8,11H,1,3,5,9H2.
What are the key properties of 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine?
5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine has a molecular weight of 343.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 122258626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).