3-(3-fluoropropylsulfonyl)piperidine

C8H16FNO2S — CID 84677094

IUPAC3-(3-fluoropropylsulfonyl)piperidine
SMILESO=S(=O)(CCCF)C1CCCNC1
InChIInChI=1S/C8H16FNO2S/c9-4-2-6-13(11,12)8-3-1-5-10-7-8/h8,10H,1-7H2
InChIKeyXJQILJVJVGZXQY-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.51
Rot. Bonds4

About 3-(3-fluoropropylsulfonyl)piperidine

3-(3-fluoropropylsulfonyl)piperidine (PubChem CID 84677094) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfonyl)piperidine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfonyl)piperidine
PubChem CID84677094
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-(3-fluoropropylsulfonyl)piperidine
SMILESO=S(=O)(CCCF)C1CCCNC1
InChIInChI=1S/C8H16FNO2S/c9-4-2-6-13(11,12)8-3-1-5-10-7-8/h8,10H,1-7H2
InChIKeyXJQILJVJVGZXQY-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonylpiperidine
CID 22275823
4-Methanesulfonylpiperidine hydrochloride
CID 23061698
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
4-(Methanesulfonyl)piperidine
CID 22275038
4-(Cyclohexanesulfonyl)piperidine hydrochloride
CID 72716333
(R)-3-(Methylsulfonyl)piperidine hydrochloride
CID 122170300
4-Difluoromethanesulfonylpiperidine hydrochloride
CID 154814546
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4-(Ethanesulfonyl)piperidine
CID 53404297

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfonyl)piperidine?
The IUPAC name of 3-(3-fluoropropylsulfonyl)piperidine (CID 84677094) is 3-(3-fluoropropylsulfonyl)piperidine.
What is the SMILES notation for 3-(3-fluoropropylsulfonyl)piperidine?
The canonical SMILES for 3-(3-fluoropropylsulfonyl)piperidine is O=S(=O)(CCCF)C1CCCNC1.
What is the InChIKey of 3-(3-fluoropropylsulfonyl)piperidine?
The InChIKey is XJQILJVJVGZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-4-2-6-13(11,12)8-3-1-5-10-7-8/h8,10H,1-7H2.
What are the key properties of 3-(3-fluoropropylsulfonyl)piperidine?
3-(3-fluoropropylsulfonyl)piperidine has a molecular weight of 209.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfonyl)piperidine is sourced from PubChem (CID 84677094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).