4-(3-fluorobutylsulfanyl)piperidine

C9H18FNS — CID 84663639

IUPAC4-(3-fluorobutylsulfanyl)piperidine
SMILESCC(F)CCSC1CCNCC1
InChIInChI=1S/C9H18FNS/c1-8(10)4-7-12-9-2-5-11-6-3-9/h8-9,11H,2-7H2,1H3
InChIKeyUJZPYAYKFGKPLX-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.22
Rot. Bonds4

About 4-(3-fluorobutylsulfanyl)piperidine

4-(3-fluorobutylsulfanyl)piperidine (PubChem CID 84663639) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 4-(3-fluorobutylsulfanyl)piperidine.

Molecular Properties

Compound Name4-(3-fluorobutylsulfanyl)piperidine
PubChem CID84663639
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name4-(3-fluorobutylsulfanyl)piperidine
SMILESCC(F)CCSC1CCNCC1
InChIInChI=1S/C9H18FNS/c1-8(10)4-7-12-9-2-5-11-6-3-9/h8-9,11H,2-7H2,1H3
InChIKeyUJZPYAYKFGKPLX-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluorobutylsulfanyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethylthiomorpholine
CID 21495166
1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
CID 529058
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405
2-Nonyl-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061409
4-(Methylsulfanyl)piperidine hydrochloride
CID 50998950
4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane
CID 162979695
4-(Tert-butylsulfanyl)piperidine hydrochloride
CID 72716464
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
2-Butyl-1,3-thiazinane
CID 3061406
4-Methylthiopiperidine
CID 17805752
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutylsulfanyl)piperidine?
The IUPAC name of 4-(3-fluorobutylsulfanyl)piperidine (CID 84663639) is 4-(3-fluorobutylsulfanyl)piperidine.
What is the SMILES notation for 4-(3-fluorobutylsulfanyl)piperidine?
The canonical SMILES for 4-(3-fluorobutylsulfanyl)piperidine is CC(F)CCSC1CCNCC1.
What is the InChIKey of 4-(3-fluorobutylsulfanyl)piperidine?
The InChIKey is UJZPYAYKFGKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-8(10)4-7-12-9-2-5-11-6-3-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-(3-fluorobutylsulfanyl)piperidine?
4-(3-fluorobutylsulfanyl)piperidine has a molecular weight of 191.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobutylsulfanyl)piperidine is sourced from PubChem (CID 84663639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).