(1-ethylpiperidin-3-yl) thiohypofluorite

C7H14FNS — CID 143536381

IUPAC(1-ethylpiperidin-3-yl) thiohypofluorite
SMILESCCN1CCCC(SF)C1
InChIInChI=1S/C7H14FNS/c1-2-9-5-3-4-7(6-9)10-8/h7H,2-6H2,1H3
InChIKeyVFBMLDNWGMBLEZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.09
Rot. Bonds2

About (1-ethylpiperidin-3-yl) thiohypofluorite

(1-ethylpiperidin-3-yl) thiohypofluorite (PubChem CID 143536381) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl) thiohypofluorite
PubChem CID143536381
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name(1-ethylpiperidin-3-yl) thiohypofluorite
SMILESCCN1CCCC(SF)C1
InChIInChI=1S/C7H14FNS/c1-2-9-5-3-4-7(6-9)10-8/h7H,2-6H2,1H3
InChIKeyVFBMLDNWGMBLEZ-UHFFFAOYSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanethiol, 2-piperidino-
CID 78434
1-Methylpiperidine-4-thiol
CID 14180391
(r,s)-1-Methyl-3-methylsulfanyl-piperidine
CID 15063099
3-Piperidinethiol, 1-methyl-
CID 228345
1-Ethylsulfanylpiperidine
CID 12350760
Piperidinoethanethiol
CID 22035330
1-Methyl-4-(methylthio)piperidin
CID 54107306
2-(4-Fluoropiperidin-1-yl)ethanethiol
CID 130058616
1-Ethylsulfanyl-3-fluoropiperidine
CID 144377092
1-(4,4-Difluoropiperidin-1-yl)ethanethiol
CID 149136017
3,3-Difluoro-1-methylpiperidine-4-thiol
CID 156053763
(3R,4S)-3-fluoro-1-methylpiperidine-4-thiol
CID 157047720

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl) thiohypofluorite?
The IUPAC name of (1-ethylpiperidin-3-yl) thiohypofluorite (CID 143536381) is (1-ethylpiperidin-3-yl) thiohypofluorite.
What is the SMILES notation for (1-ethylpiperidin-3-yl) thiohypofluorite?
The canonical SMILES for (1-ethylpiperidin-3-yl) thiohypofluorite is CCN1CCCC(SF)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl) thiohypofluorite?
The InChIKey is VFBMLDNWGMBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-2-9-5-3-4-7(6-9)10-8/h7H,2-6H2,1H3.
What are the key properties of (1-ethylpiperidin-3-yl) thiohypofluorite?
(1-ethylpiperidin-3-yl) thiohypofluorite has a molecular weight of 163.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl) thiohypofluorite is sourced from PubChem (CID 143536381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).