4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine

C16H18FN3O2S — CID 125006109

IUPAC4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
SMILESCc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H18FN3O2S/c1-12-18-9-8-16(19-12)13-3-2-10-20(11-13)23(21,22)15-6-4-14(17)5-7-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyUDUDHPQZGRMGEU-CYBMUJFWSA-N
MW335.40 g/mol
LogP2.49
Rot. Bonds3

About 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine

4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine (PubChem CID 125006109) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
PubChem CID125006109
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
SMILESCc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H18FN3O2S/c1-12-18-9-8-16(19-12)13-3-2-10-20(11-13)23(21,22)15-6-4-14(17)5-7-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyUDUDHPQZGRMGEU-CYBMUJFWSA-N
XLogP2.49
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 124969146
6-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115095
6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124955446
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
CID 95839090
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 95809420
2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110269928
4-[(3R)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 124958092
4-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837666
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
The IUPAC name of 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine (CID 125006109) is 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine is Cc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
The InChIKey is UDUDHPQZGRMGEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-12-18-9-8-16(19-12)13-3-2-10-20(11-13)23(21,22)15-6-4-14(17)5-7-15/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine has a molecular weight of 335.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine is sourced from PubChem (CID 125006109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).