(1-methylpiperidin-4-yl) thiohypofluorite

C6H12FNS — CID 162743337

IUPAC(1-methylpiperidin-4-yl) thiohypofluorite
SMILESCN1CCC(SF)CC1
InChIInChI=1S/C6H12FNS/c1-8-4-2-6(9-7)3-5-8/h6H,2-5H2,1H3
InChIKeyKCLHQKODBGWEMC-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.70
Rot. Bonds1

About (1-methylpiperidin-4-yl) thiohypofluorite

(1-methylpiperidin-4-yl) thiohypofluorite (PubChem CID 162743337) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) thiohypofluorite.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) thiohypofluorite
PubChem CID162743337
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name(1-methylpiperidin-4-yl) thiohypofluorite
SMILESCN1CCC(SF)CC1
InChIInChI=1S/C6H12FNS/c1-8-4-2-6(9-7)3-5-8/h6H,2-5H2,1H3
InChIKeyKCLHQKODBGWEMC-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) thiohypofluorite?
The IUPAC name of (1-methylpiperidin-4-yl) thiohypofluorite (CID 162743337) is (1-methylpiperidin-4-yl) thiohypofluorite.
What is the SMILES notation for (1-methylpiperidin-4-yl) thiohypofluorite?
The canonical SMILES for (1-methylpiperidin-4-yl) thiohypofluorite is CN1CCC(SF)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) thiohypofluorite?
The InChIKey is KCLHQKODBGWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c1-8-4-2-6(9-7)3-5-8/h6H,2-5H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) thiohypofluorite?
(1-methylpiperidin-4-yl) thiohypofluorite has a molecular weight of 149.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) thiohypofluorite is sourced from PubChem (CID 162743337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).