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

C6H12FNS — CID 118661743

IUPAC(3S,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+/m0/s1
InChIKeyZITZSUCDSMMMLI-NTSWFWBYSA-N
MW149.23 g/mol
LogP1.05
Rot. Bonds1

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

(3S,4R)-3-fluoro-4-methylsulfanylpiperidine (PubChem CID 118661743) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
PubChem CID118661743
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name(3S,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+/m0/s1
InChIKeyZITZSUCDSMMMLI-NTSWFWBYSA-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

(3R)-3-methylsulfanylpyrrolidine
CID 94401655
(3R)-3-fluoro-N-methylpiperidin-4-amine
CID 141385333
(3R)-3-fluoro-4-methoxypiperidine
CID 175540889
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168
(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
CID 58286803
(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride
CID 135395865
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
1-(3-fluoropiperidin-4-yl)ethanamine
CID 178035088
(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine
CID 130985817
3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 59304222
(3S,4R)-4-fluoropiperidin-3-amine
CID 97053659
4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
CID 164659405

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-methylsulfanylpiperidine?
The IUPAC name of (3S,4R)-3-fluoro-4-methylsulfanylpiperidine (CID 118661743) is (3S,4R)-3-fluoro-4-methylsulfanylpiperidine.
What is the SMILES notation for (3S,4R)-3-fluoro-4-methylsulfanylpiperidine?
The canonical SMILES for (3S,4R)-3-fluoro-4-methylsulfanylpiperidine is CS[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-4-methylsulfanylpiperidine?
The InChIKey is ZITZSUCDSMMMLI-NTSWFWBYSA-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+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4-methylsulfanylpiperidine?
(3S,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 (3S,4R)-3-fluoro-4-methylsulfanylpiperidine is sourced from PubChem (CID 118661743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).