(3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine

C7H14FNS — CID 167133113

IUPAC(3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine
SMILESCSC1CNC[C@@](C)(F)C1
InChIInChI=1S/C7H14FNS/c1-7(8)3-6(10-2)4-9-5-7/h6,9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyJGHJWJNBPZIXMW-MLWJPKLSSA-N
MW163.26 g/mol
LogP1.44
Rot. Bonds1

About (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine

(3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine (PubChem CID 167133113) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine
PubChem CID167133113
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name(3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine
SMILESCSC1CNC[C@@](C)(F)C1
InChIInChI=1S/C7H14FNS/c1-7(8)3-6(10-2)4-9-5-7/h6,9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyJGHJWJNBPZIXMW-MLWJPKLSSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine?
The IUPAC name of (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine (CID 167133113) is (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine.
What is the SMILES notation for (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine?
The canonical SMILES for (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine is CSC1CNC[C@@](C)(F)C1.
What is the InChIKey of (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine?
The InChIKey is JGHJWJNBPZIXMW-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H14FNS/c1-7(8)3-6(10-2)4-9-5-7/h6,9H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine?
(3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine has a molecular weight of 163.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine is sourced from PubChem (CID 167133113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).