1-ethylsulfonyl-4-fluoro-4-methylpiperidine

C8H16FNO2S — CID 134322141

IUPAC1-ethylsulfonyl-4-fluoro-4-methylpiperidine
SMILESCCS(=O)(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C8H16FNO2S/c1-3-13(11,12)10-6-4-8(2,9)5-7-10/h3-7H2,1-2H3
InChIKeyNUKXBGGKGWKPQU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds2

About 1-ethylsulfonyl-4-fluoro-4-methylpiperidine

1-ethylsulfonyl-4-fluoro-4-methylpiperidine (PubChem CID 134322141) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-fluoro-4-methylpiperidine
PubChem CID134322141
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name1-ethylsulfonyl-4-fluoro-4-methylpiperidine
SMILESCCS(=O)(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C8H16FNO2S/c1-3-13(11,12)10-6-4-8(2,9)5-7-10/h3-7H2,1-2H3
InChIKeyNUKXBGGKGWKPQU-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-ethylsulfonyl-4-fluoro-4-methylpiperidine (CID 134322141) is 1-ethylsulfonyl-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-ethylsulfonyl-4-fluoro-4-methylpiperidine is CCS(=O)(=O)N1CCC(C)(F)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-fluoro-4-methylpiperidine?
The InChIKey is NUKXBGGKGWKPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-3-13(11,12)10-6-4-8(2,9)5-7-10/h3-7H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-fluoro-4-methylpiperidine?
1-ethylsulfonyl-4-fluoro-4-methylpiperidine has a molecular weight of 209.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 134322141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).