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

C16H18FN3O2S — CID 124969146

IUPAC4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
SMILESCc1nccc([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1
InChIInChI=1S/C16H18FN3O2S/c1-12-18-9-8-15(19-12)13-5-4-10-20(11-13)23(21,22)16-7-3-2-6-14(16)17/h2-3,6-9,13H,4-5,10-11H2,1H3/t13-/m0/s1
InChIKeyJGLLXWXNVVWEGH-ZDUSSCGKSA-N
MW335.40 g/mol
LogP2.49
Rot. Bonds3

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

4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine (PubChem CID 124969146) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
PubChem CID124969146
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
SMILESCc1nccc([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1
InChIInChI=1S/C16H18FN3O2S/c1-12-18-9-8-15(19-12)13-5-4-10-20(11-13)23(21,22)16-7-3-2-6-14(16)17/h2-3,6-9,13H,4-5,10-11H2,1H3/t13-/m0/s1
InChIKeyJGLLXWXNVVWEGH-ZDUSSCGKSA-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-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 95829531
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine
CID 72900633
(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(2-fluorophenyl)sulfonylpiperidine
CID 97201152
2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110269928
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427
3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 110270616
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
CID 122256039
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
The IUPAC name of 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine (CID 124969146) is 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine is Cc1nccc([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1.
What is the InChIKey of 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
The InChIKey is JGLLXWXNVVWEGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-12-18-9-8-15(19-12)13-5-4-10-20(11-13)23(21,22)16-7-3-2-6-14(16)17/h2-3,6-9,13H,4-5,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine?
4-[(3S)-1-(2-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-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine is sourced from PubChem (CID 124969146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).