3-fluoro-1-sulfanylpiperidine

C5H10FNS — CID 154686887

IUPAC3-fluoro-1-sulfanylpiperidine
SMILESFC1CCCN(S)C1
InChIInChI=1S/C5H10FNS/c6-5-2-1-3-7(8)4-5/h5,8H,1-4H2
InChIKeyKABAYTRUMPNDFR-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.27
Rot. Bonds

About 3-fluoro-1-sulfanylpiperidine

3-fluoro-1-sulfanylpiperidine (PubChem CID 154686887) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-fluoro-1-sulfanylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-sulfanylpiperidine
PubChem CID154686887
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name3-fluoro-1-sulfanylpiperidine
SMILESFC1CCCN(S)C1
InChIInChI=1S/C5H10FNS/c6-5-2-1-3-7(8)4-5/h5,8H,1-4H2
InChIKeyKABAYTRUMPNDFR-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yl-1-sulfanylpiperidine
CID 126691243
phosphanyl-(1-sulfanylpiperidin-3-yl)methanone
CID 145353930
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
1-sulfanyl-3-(trifluoromethyl)pyrrolidine
CID 135202722
3-fluoro-1-(4-methylpentyl)piperidine
CID 58664939
1-(2-ethoxyethyl)-3-fluoropiperidine
CID 177032761
3-fluoro-1-pent-4-enylpiperidine
CID 163239212
[1-[[(3S)-3-fluoropiperidin-1-yl]methyl]cyclopropyl]methanol
CID 171792654
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
potassium 3-fluoro-1-(piperidin-1-id-4-ylmethyl)piperidine
CID 176562157
1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol
CID 164659374

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-sulfanylpiperidine?
The IUPAC name of 3-fluoro-1-sulfanylpiperidine (CID 154686887) is 3-fluoro-1-sulfanylpiperidine.
What is the SMILES notation for 3-fluoro-1-sulfanylpiperidine?
The canonical SMILES for 3-fluoro-1-sulfanylpiperidine is FC1CCCN(S)C1.
What is the InChIKey of 3-fluoro-1-sulfanylpiperidine?
The InChIKey is KABAYTRUMPNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c6-5-2-1-3-7(8)4-5/h5,8H,1-4H2.
What are the key properties of 3-fluoro-1-sulfanylpiperidine?
3-fluoro-1-sulfanylpiperidine has a molecular weight of 135.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-sulfanylpiperidine is sourced from PubChem (CID 154686887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).