3-(3-fluorobutylsulfonyl)piperidine

C9H18FNO2S — CID 84688624

IUPAC3-(3-fluorobutylsulfonyl)piperidine
SMILESCC(F)CCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C9H18FNO2S/c1-8(10)4-6-14(12,13)9-3-2-5-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyGBQJJNBSSYWBQU-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.90
Rot. Bonds4

About 3-(3-fluorobutylsulfonyl)piperidine

3-(3-fluorobutylsulfonyl)piperidine (PubChem CID 84688624) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-(3-fluorobutylsulfonyl)piperidine.

Molecular Properties

Compound Name3-(3-fluorobutylsulfonyl)piperidine
PubChem CID84688624
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name3-(3-fluorobutylsulfonyl)piperidine
SMILESCC(F)CCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C9H18FNO2S/c1-8(10)4-6-14(12,13)9-3-2-5-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyGBQJJNBSSYWBQU-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonylpiperidine
CID 22275823
4-Methanesulfonylpiperidine hydrochloride
CID 23061698
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
4-(Methanesulfonyl)piperidine
CID 22275038
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
4-(Cyclohexanesulfonyl)piperidine hydrochloride
CID 72716333
2,2-Diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75478254
(R)-3-(Methylsulfonyl)piperidine hydrochloride
CID 122170300

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutylsulfonyl)piperidine?
The IUPAC name of 3-(3-fluorobutylsulfonyl)piperidine (CID 84688624) is 3-(3-fluorobutylsulfonyl)piperidine.
What is the SMILES notation for 3-(3-fluorobutylsulfonyl)piperidine?
The canonical SMILES for 3-(3-fluorobutylsulfonyl)piperidine is CC(F)CCS(=O)(=O)C1CCCNC1.
What is the InChIKey of 3-(3-fluorobutylsulfonyl)piperidine?
The InChIKey is GBQJJNBSSYWBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(10)4-6-14(12,13)9-3-2-5-11-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-(3-fluorobutylsulfonyl)piperidine?
3-(3-fluorobutylsulfonyl)piperidine has a molecular weight of 223.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutylsulfonyl)piperidine is sourced from PubChem (CID 84688624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).