3-fluoro-5-(methylsulfonylmethyl)piperidine

C7H14FNO2S — CID 105449122

IUPAC3-fluoro-5-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CNCC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-12(10,11)5-6-2-7(8)4-9-3-6/h6-7,9H,2-5H2,1H3
InChIKeyURYNIIYCKPYSNI-UHFFFAOYSA-N
MW195.26 g/mol
LogP-0.02
Rot. Bonds2

About 3-fluoro-5-(methylsulfonylmethyl)piperidine

3-fluoro-5-(methylsulfonylmethyl)piperidine (PubChem CID 105449122) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-fluoro-5-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-5-(methylsulfonylmethyl)piperidine
PubChem CID105449122
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-fluoro-5-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CNCC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-12(10,11)5-6-2-7(8)4-9-3-6/h6-7,9H,2-5H2,1H3
InChIKeyURYNIIYCKPYSNI-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonylpiperidine
CID 22275823
4-Methanesulfonylpiperidine hydrochloride
CID 23061698
4-(Methanesulfonylmethyl)piperidine hydrochloride
CID 46737055
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
4-(Methanesulfonyl)piperidine
CID 22275038
(Piperidin-3-yl)methanesulfonyl fluoride hydrochloride
CID 122163718
(R)-3-(Methylsulfonyl)piperidine hydrochloride
CID 122170300
((3S)-piperidin-3-yl)methanesulfonyl fluoride hydrochloride
CID 165941166
4-((Methylsulfonyl)methyl)piperidine
CID 22275402
4-(Ethanesulfonyl)piperidine
CID 53404297
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(methylsulfonylmethyl)piperidine?
The IUPAC name of 3-fluoro-5-(methylsulfonylmethyl)piperidine (CID 105449122) is 3-fluoro-5-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 3-fluoro-5-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 3-fluoro-5-(methylsulfonylmethyl)piperidine is CS(=O)(=O)CC1CNCC(F)C1.
What is the InChIKey of 3-fluoro-5-(methylsulfonylmethyl)piperidine?
The InChIKey is URYNIIYCKPYSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-12(10,11)5-6-2-7(8)4-9-3-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-fluoro-5-(methylsulfonylmethyl)piperidine?
3-fluoro-5-(methylsulfonylmethyl)piperidine has a molecular weight of 195.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 105449122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).