6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one

C15H16FN3O3S — CID 124955446

IUPAC6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]1
InChIInChI=1S/C15H16FN3O3S/c16-12-3-5-13(6-4-12)23(21,22)19-9-1-2-11(10-19)14-7-8-17-15(20)18-14/h3-8,11H,1-2,9-10H2,(H,17,18,20)/t11-/m0/s1
InChIKeyFJYFZSIRQNCVOY-NSHDSACASA-N
MW337.38 g/mol
LogP1.48
Rot. Bonds3

About 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one

6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 124955446) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID124955446
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]1
InChIInChI=1S/C15H16FN3O3S/c16-12-3-5-13(6-4-12)23(21,22)19-9-1-2-11(10-19)14-7-8-17-15(20)18-14/h3-8,11H,1-2,9-10H2,(H,17,18,20)/t11-/m0/s1
InChIKeyFJYFZSIRQNCVOY-NSHDSACASA-N
XLogP1.48
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115095
6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115186
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one (CID 124955446) is 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one is O=c1nccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]1.
What is the InChIKey of 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is FJYFZSIRQNCVOY-NSHDSACASA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-12-3-5-13(6-4-12)23(21,22)19-9-1-2-11(10-19)14-7-8-17-15(20)18-14/h3-8,11H,1-2,9-10H2,(H,17,18,20)/t11-/m0/s1.
What are the key properties of 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124955446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).