4-(3-ethylsulfonyl-1-fluoropropyl)piperidine

C10H20FNO2S — CID 106735909

IUPAC4-(3-ethylsulfonyl-1-fluoropropyl)piperidine
SMILESCCS(=O)(=O)CCC(F)C1CCNCC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)8-5-10(11)9-3-6-12-7-4-9/h9-10,12H,2-8H2,1H3
InChIKeyCVDAQONYPBXTPZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.15
Rot. Bonds5

About 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine

4-(3-ethylsulfonyl-1-fluoropropyl)piperidine (PubChem CID 106735909) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine.

Molecular Properties

Compound Name4-(3-ethylsulfonyl-1-fluoropropyl)piperidine
PubChem CID106735909
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name4-(3-ethylsulfonyl-1-fluoropropyl)piperidine
SMILESCCS(=O)(=O)CCC(F)C1CCNCC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)8-5-10(11)9-3-6-12-7-4-9/h9-10,12H,2-8H2,1H3
InChIKeyCVDAQONYPBXTPZ-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine?
The IUPAC name of 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine (CID 106735909) is 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine.
What is the SMILES notation for 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine?
The canonical SMILES for 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine is CCS(=O)(=O)CCC(F)C1CCNCC1.
What is the InChIKey of 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine?
The InChIKey is CVDAQONYPBXTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-15(13,14)8-5-10(11)9-3-6-12-7-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine?
4-(3-ethylsulfonyl-1-fluoropropyl)piperidine has a molecular weight of 237.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonyl-1-fluoropropyl)piperidine is sourced from PubChem (CID 106735909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).