3-[2-(fluoromethylsulfonyl)ethyl]piperidine

C8H16FNO2S — CID 84722924

IUPAC3-[2-(fluoromethylsulfonyl)ethyl]piperidine
SMILESO=S(=O)(CF)CCC1CCCNC1
InChIInChI=1S/C8H16FNO2S/c9-7-13(11,12)5-3-8-2-1-4-10-6-8/h8,10H,1-7H2
InChIKeyPLQHCFYVMDMPSU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.72
Rot. Bonds4

About 3-[2-(fluoromethylsulfonyl)ethyl]piperidine

3-[2-(fluoromethylsulfonyl)ethyl]piperidine (PubChem CID 84722924) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(fluoromethylsulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(fluoromethylsulfonyl)ethyl]piperidine
PubChem CID84722924
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-[2-(fluoromethylsulfonyl)ethyl]piperidine
SMILESO=S(=O)(CF)CCC1CCCNC1
InChIInChI=1S/C8H16FNO2S/c9-7-13(11,12)5-3-8-2-1-4-10-6-8/h8,10H,1-7H2
InChIKeyPLQHCFYVMDMPSU-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
4-(Methanesulfonylmethyl)piperidine hydrochloride
CID 46737055
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
2-(Piperidin-3-yl)ethane-1-sulfonyl fluoride hydrochloride
CID 146049275
6lambda6-Thia-9-azaspiro[4.5]decane-6,6-dione hydrochloride
CID 165913416
4-((Methylsulfonyl)methyl)piperidine
CID 22275402
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-(Trifluoromethylsulfonylmethyl)piperidine
CID 157475885
3-(2,2,2-Trifluoroethylsulfonylmethyl)piperidine
CID 160563827
4-(Difluoromethyl)-1lambda6-thia-8-azaspiro[4.5]decane 1,1-dioxide
CID 71306011
4-(Fluoromethyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione
CID 71306082

Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethylsulfonyl)ethyl]piperidine?
The IUPAC name of 3-[2-(fluoromethylsulfonyl)ethyl]piperidine (CID 84722924) is 3-[2-(fluoromethylsulfonyl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(fluoromethylsulfonyl)ethyl]piperidine?
The canonical SMILES for 3-[2-(fluoromethylsulfonyl)ethyl]piperidine is O=S(=O)(CF)CCC1CCCNC1.
What is the InChIKey of 3-[2-(fluoromethylsulfonyl)ethyl]piperidine?
The InChIKey is PLQHCFYVMDMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-7-13(11,12)5-3-8-2-1-4-10-6-8/h8,10H,1-7H2.
What are the key properties of 3-[2-(fluoromethylsulfonyl)ethyl]piperidine?
3-[2-(fluoromethylsulfonyl)ethyl]piperidine has a molecular weight of 209.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethylsulfonyl)ethyl]piperidine is sourced from PubChem (CID 84722924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).