4-(fluoromethylsulfonylmethyl)piperidine

C7H14FNO2S — CID 84720546

IUPAC4-(fluoromethylsulfonylmethyl)piperidine
SMILESO=S(=O)(CF)CC1CCNCC1
InChIInChI=1S/C7H14FNO2S/c8-6-12(10,11)5-7-1-3-9-4-2-7/h7,9H,1-6H2
InChIKeyPROUMRYHUMEJRN-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.33
Rot. Bonds3

About 4-(fluoromethylsulfonylmethyl)piperidine

4-(fluoromethylsulfonylmethyl)piperidine (PubChem CID 84720546) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(fluoromethylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(fluoromethylsulfonylmethyl)piperidine
PubChem CID84720546
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name4-(fluoromethylsulfonylmethyl)piperidine
SMILESO=S(=O)(CF)CC1CCNCC1
InChIInChI=1S/C7H14FNO2S/c8-6-12(10,11)5-7-1-3-9-4-2-7/h7,9H,1-6H2
InChIKeyPROUMRYHUMEJRN-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonylpiperidine
CID 22275823
4-(Methanesulfonylmethyl)piperidine hydrochloride
CID 46737055
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
4-(Methanesulfonyl)piperidine
CID 22275038
Piperidin-4-ylmethanesulfonamide
CID 21328013
(Piperidin-4-yl)methanesulfonyl fluoride hydrochloride
CID 119057104
4-Difluoromethanesulfonylpiperidine hydrochloride
CID 154814546
1Lambda6-thia-7-azaspiro(3.5)nonane-1,1-dione hydrochloride
CID 155819959
4-((Methylsulfonyl)methyl)piperidine
CID 22275402
1-Methanidyl-4-(trifluoromethylsulfonyl)piperidin-1-ium
CID 57868235
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylsulfonylmethyl)piperidine?
The IUPAC name of 4-(fluoromethylsulfonylmethyl)piperidine (CID 84720546) is 4-(fluoromethylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(fluoromethylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(fluoromethylsulfonylmethyl)piperidine is O=S(=O)(CF)CC1CCNCC1.
What is the InChIKey of 4-(fluoromethylsulfonylmethyl)piperidine?
The InChIKey is PROUMRYHUMEJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-6-12(10,11)5-7-1-3-9-4-2-7/h7,9H,1-6H2.
What are the key properties of 4-(fluoromethylsulfonylmethyl)piperidine?
4-(fluoromethylsulfonylmethyl)piperidine has a molecular weight of 195.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylsulfonylmethyl)piperidine is sourced from PubChem (CID 84720546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).