[(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite

C7H14FNS — CID 177212827

IUPAC[(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite
SMILESC[C@H]1CCN(C)CC1SF
InChIInChI=1S/C7H14FNS/c1-6-3-4-9(2)5-7(6)10-8/h6-7H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyMGSREMNMZFDFDA-PKPIPKONSA-N
MW163.26 g/mol
LogP1.94
Rot. Bonds1

About [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite

[(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite (PubChem CID 177212827) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite
PubChem CID177212827
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name[(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite
SMILESC[C@H]1CCN(C)CC1SF
InChIInChI=1S/C7H14FNS/c1-6-3-4-9(2)5-7(6)10-8/h6-7H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyMGSREMNMZFDFDA-PKPIPKONSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methylpiperidin-3-yl)methanethiol
CID 13452607
1-[4-(Trifluoromethyl)piperidin-1-yl]ethanethiol
CID 135202721
(1-Ethylpiperidin-3-yl) thiohypofluorite
CID 143536381
3-Fluoro-1,5-dimethylpiperidine-4-thiol
CID 156519467
(1-Methylpiperidin-4-yl) thiohypofluorite
CID 162743337
2-(3,3-Difluoro-4-methylpiperidin-1-yl)ethanethiol
CID 176562678
3-Fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine
CID 126995983
2-(4-Methylpiperidyl)ethane-1-thiol
CID 431391
2-Ethyl-4-piperidin-1-ylbutane-1-thiol
CID 23362381
3-(Piperidin-1-ylmethyl)pentane-1-thiol
CID 23362437
4-Methyl-1-(2-methylsulfanylethyl)piperidine
CID 66695249
2-(4-Ethylpiperidin-1-yl)ethanethiol
CID 80017107

Frequently Asked Questions

What is the IUPAC name of [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite?
The IUPAC name of [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite (CID 177212827) is [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite.
What is the SMILES notation for [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite?
The canonical SMILES for [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite is C[C@H]1CCN(C)CC1SF.
What is the InChIKey of [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite?
The InChIKey is MGSREMNMZFDFDA-PKPIPKONSA-N. The full InChI is InChI=1S/C7H14FNS/c1-6-3-4-9(2)5-7(6)10-8/h6-7H,3-5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite?
[(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite has a molecular weight of 163.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1,4-dimethylpiperidin-3-yl] thiohypofluorite is sourced from PubChem (CID 177212827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).