(5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite

C9H12FN3S — CID 175610067

IUPAC(5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite
SMILESFSc1cnc(N2CCCCC2)cn1
InChIInChI=1S/C9H12FN3S/c10-14-9-7-11-8(6-12-9)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyPOIDNKRKWWLEHS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.44
Rot. Bonds2

About (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite

(5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite (PubChem CID 175610067) has the molecular formula C9H12FN3S and a molecular weight of 213.28 g/mol. Its IUPAC name is (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite
PubChem CID175610067
Molecular FormulaC9H12FN3S
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name(5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite
SMILESFSc1cnc(N2CCCCC2)cn1
InChIInChI=1S/C9H12FN3S/c10-14-9-7-11-8(6-12-9)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyPOIDNKRKWWLEHS-UHFFFAOYSA-N
XLogP2.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite?
The IUPAC name of (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite (CID 175610067) is (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite.
What is the SMILES notation for (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite?
The canonical SMILES for (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite is FSc1cnc(N2CCCCC2)cn1.
What is the InChIKey of (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite?
The InChIKey is POIDNKRKWWLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3S/c10-14-9-7-11-8(6-12-9)13-4-2-1-3-5-13/h6-7H,1-5H2.
What are the key properties of (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite?
(5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite has a molecular weight of 213.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-piperidin-1-ylpyrazin-2-yl) thiohypofluorite is sourced from PubChem (CID 175610067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).