5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine

C19H24FN3O2S — CID 155253220

IUPAC5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine
SMILESCc1ncc(N2CCC(C(C)(C)S(=O)(=O)c3cccc(F)c3)CC2)cn1
InChIInChI=1S/C19H24FN3O2S/c1-14-21-12-17(13-22-14)23-9-7-15(8-10-23)19(2,3)26(24,25)18-6-4-5-16(20)11-18/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyAAKWOXUMGLLYSF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.39
Rot. Bonds4

About 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine

5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine (PubChem CID 155253220) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine
PubChem CID155253220
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine
SMILESCc1ncc(N2CCC(C(C)(C)S(=O)(=O)c3cccc(F)c3)CC2)cn1
InChIInChI=1S/C19H24FN3O2S/c1-14-21-12-17(13-22-14)23-9-7-15(8-10-23)19(2,3)26(24,25)18-6-4-5-16(20)11-18/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyAAKWOXUMGLLYSF-UHFFFAOYSA-N
XLogP3.39
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine (CID 155253220) is 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine is Cc1ncc(N2CCC(C(C)(C)S(=O)(=O)c3cccc(F)c3)CC2)cn1.
What is the InChIKey of 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine?
The InChIKey is AAKWOXUMGLLYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-14-21-12-17(13-22-14)23-9-7-15(8-10-23)19(2,3)26(24,25)18-6-4-5-16(20)11-18/h4-6,11-13,15H,7-10H2,1-3H3.
What are the key properties of 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine?
5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine has a molecular weight of 377.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 155253220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).