(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine

C15H20FNO4S — CID 52847363

IUPAC(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1F
InChIInChI=1S/C15H20FNO4S/c1-11-5-6-12(10-13(11)16)22(18,19)17-7-3-2-4-14(17)15-20-8-9-21-15/h5-6,10,14-15H,2-4,7-9H2,1H3/t14-/m0/s1
InChIKeyBBZANGPAJKBUIK-AWEZNQCLSA-N
MW329.39 g/mol
LogP2.05
Rot. Bonds3

About (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine

(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine (PubChem CID 52847363) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine
PubChem CID52847363
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1F
InChIInChI=1S/C15H20FNO4S/c1-11-5-6-12(10-13(11)16)22(18,19)17-7-3-2-4-14(17)15-20-8-9-21-15/h5-6,10,14-15H,2-4,7-9H2,1H3/t14-/m0/s1
InChIKeyBBZANGPAJKBUIK-AWEZNQCLSA-N
XLogP2.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine?
The IUPAC name of (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine (CID 52847363) is (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1F.
What is the InChIKey of (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine?
The InChIKey is BBZANGPAJKBUIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-11-5-6-12(10-13(11)16)22(18,19)17-7-3-2-4-14(17)15-20-8-9-21-15/h5-6,10,14-15H,2-4,7-9H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine?
(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine has a molecular weight of 329.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 52847363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).