3-fluoro-4-methylsulfanylpiperidine

C6H12FNS — CID 90176868

IUPAC3-fluoro-4-methylsulfanylpiperidine
SMILESCSC1CCNCC1F
InChIInChI=1S/C6H12FNS/c1-9-6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyZITZSUCDSMMMLI-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.05
Rot. Bonds1

About 3-fluoro-4-methylsulfanylpiperidine

3-fluoro-4-methylsulfanylpiperidine (PubChem CID 90176868) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 3-fluoro-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name3-fluoro-4-methylsulfanylpiperidine
PubChem CID90176868
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name3-fluoro-4-methylsulfanylpiperidine
SMILESCSC1CCNCC1F
InChIInChI=1S/C6H12FNS/c1-9-6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyZITZSUCDSMMMLI-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylsulfanylpiperidine?
The IUPAC name of 3-fluoro-4-methylsulfanylpiperidine (CID 90176868) is 3-fluoro-4-methylsulfanylpiperidine.
What is the SMILES notation for 3-fluoro-4-methylsulfanylpiperidine?
The canonical SMILES for 3-fluoro-4-methylsulfanylpiperidine is CSC1CCNCC1F.
What is the InChIKey of 3-fluoro-4-methylsulfanylpiperidine?
The InChIKey is ZITZSUCDSMMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c1-9-6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-fluoro-4-methylsulfanylpiperidine?
3-fluoro-4-methylsulfanylpiperidine has a molecular weight of 149.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylsulfanylpiperidine is sourced from PubChem (CID 90176868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).