(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine

C14H18FNO4S — CID 52847340

IUPAC(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C14H18FNO4S/c15-11-4-3-5-12(10-11)21(17,18)16-7-2-1-6-13(16)14-19-8-9-20-14/h3-5,10,13-14H,1-2,6-9H2/t13-/m0/s1
InChIKeyMREAUFLOQLVIEY-ZDUSSCGKSA-N
MW315.37 g/mol
LogP1.74
Rot. Bonds3

About (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine

(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine (PubChem CID 52847340) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine
PubChem CID52847340
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C14H18FNO4S/c15-11-4-3-5-12(10-11)21(17,18)16-7-2-1-6-13(16)14-19-8-9-20-14/h3-5,10,13-14H,1-2,6-9H2/t13-/m0/s1
InChIKeyMREAUFLOQLVIEY-ZDUSSCGKSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.74
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-fluorophenyl)sulfonylpiperidine?
The IUPAC name of (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine (CID 52847340) is (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1cccc(F)c1)N1CCCC[C@H]1C1OCCO1.
What is the InChIKey of (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine?
The InChIKey is MREAUFLOQLVIEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FNO4S/c15-11-4-3-5-12(10-11)21(17,18)16-7-2-1-6-13(16)14-19-8-9-20-14/h3-5,10,13-14H,1-2,6-9H2/t13-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine?
(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine has a molecular weight of 315.37 g/mol, XLogP of 1.74, 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-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 52847340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).