3-fluoro-1-methyl-3-methylsulfanylpiperidine

C7H14FNS — CID 167009251

IUPAC3-fluoro-1-methyl-3-methylsulfanylpiperidine
SMILESCSC1(F)CCCN(C)C1
InChIInChI=1S/C7H14FNS/c1-9-5-3-4-7(8,6-9)10-2/h3-6H2,1-2H3
InChIKeyQKBQQCHMHAPQHE-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.74
Rot. Bonds1

About 3-fluoro-1-methyl-3-methylsulfanylpiperidine

3-fluoro-1-methyl-3-methylsulfanylpiperidine (PubChem CID 167009251) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-methylsulfanylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-methylsulfanylpiperidine
PubChem CID167009251
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-fluoro-1-methyl-3-methylsulfanylpiperidine
SMILESCSC1(F)CCCN(C)C1
InChIInChI=1S/C7H14FNS/c1-9-5-3-4-7(8,6-9)10-2/h3-6H2,1-2H3
InChIKeyQKBQQCHMHAPQHE-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-methylsulfanylpiperidine?
The IUPAC name of 3-fluoro-1-methyl-3-methylsulfanylpiperidine (CID 167009251) is 3-fluoro-1-methyl-3-methylsulfanylpiperidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-methylsulfanylpiperidine?
The canonical SMILES for 3-fluoro-1-methyl-3-methylsulfanylpiperidine is CSC1(F)CCCN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-methylsulfanylpiperidine?
The InChIKey is QKBQQCHMHAPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-9-5-3-4-7(8,6-9)10-2/h3-6H2,1-2H3.
What are the key properties of 3-fluoro-1-methyl-3-methylsulfanylpiperidine?
3-fluoro-1-methyl-3-methylsulfanylpiperidine has a molecular weight of 163.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-methylsulfanylpiperidine is sourced from PubChem (CID 167009251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).