(3R,4R)-3-fluoro-4-methylsulfanylpiperidine

C6H12FNS — CID 152657273

IUPAC(3R,4R)-3-fluoro-4-methylsulfanylpiperidine
SMILESCS[C@@H]1CCNC[C@H]1F
InChIInChI=1S/C6H12FNS/c1-9-6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZITZSUCDSMMMLI-PHDIDXHHSA-N
MW149.23 g/mol
LogP1.05
Rot. Bonds1

About (3R,4R)-3-fluoro-4-methylsulfanylpiperidine

(3R,4R)-3-fluoro-4-methylsulfanylpiperidine (PubChem CID 152657273) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-methylsulfanylpiperidine
PubChem CID152657273
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name(3R,4R)-3-fluoro-4-methylsulfanylpiperidine
SMILESCS[C@@H]1CCNC[C@H]1F
InChIInChI=1S/C6H12FNS/c1-9-6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZITZSUCDSMMMLI-PHDIDXHHSA-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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Related Compounds

2-Propyl-1,3-thiazinane
CID 200393
2-Ethylthiomorpholine
CID 21495166
4-(Methylsulfanyl)piperidine hydrochloride
CID 50998950
4-[(Trifluoromethyl)sulfanyl]piperidine hydrochloride
CID 91927161
2-Butyl-1,3-thiazinane
CID 3061406
4-Methylthiopiperidine
CID 17805752
3-[(Methylsulfanyl)methyl]piperidine
CID 22276228
4-Tert-butylsulfanylpiperidine
CID 71778000
4-[(Trifluoromethyl)sulfanyl]piperidine
CID 75530531
3-Fluoro-4-methylsulfanylpiperidine
CID 90176868
(+/-)-cis-3-Fluoro-4-methylsulfanylpiperidine
CID 90183725
4-(2,2,2-Trifluoroethylsulfanyl)piperidine;hydrochloride
CID 118481424

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-methylsulfanylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-4-methylsulfanylpiperidine (CID 152657273) is (3R,4R)-3-fluoro-4-methylsulfanylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-4-methylsulfanylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-4-methylsulfanylpiperidine is CS[C@@H]1CCNC[C@H]1F.
What is the InChIKey of (3R,4R)-3-fluoro-4-methylsulfanylpiperidine?
The InChIKey is ZITZSUCDSMMMLI-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12FNS/c1-9-6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-methylsulfanylpiperidine?
(3R,4R)-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 (3R,4R)-3-fluoro-4-methylsulfanylpiperidine is sourced from PubChem (CID 152657273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).