2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine

C10H14FN3S — CID 164657198

IUPAC2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine
SMILESCSC1CCN(c2nccnc2F)CC1
InChIInChI=1S/C10H14FN3S/c1-15-8-2-6-14(7-3-8)10-9(11)12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyMXECSPGNJJNDEX-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.95
Rot. Bonds2

About 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine

2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine (PubChem CID 164657198) has the molecular formula C10H14FN3S and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine
PubChem CID164657198
Molecular FormulaC10H14FN3S
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Name2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine
SMILESCSC1CCN(c2nccnc2F)CC1
InChIInChI=1S/C10H14FN3S/c1-15-8-2-6-14(7-3-8)10-9(11)12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyMXECSPGNJJNDEX-UHFFFAOYSA-N
XLogP1.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine?
The IUPAC name of 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine (CID 164657198) is 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine?
The canonical SMILES for 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine is CSC1CCN(c2nccnc2F)CC1.
What is the InChIKey of 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine?
The InChIKey is MXECSPGNJJNDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3S/c1-15-8-2-6-14(7-3-8)10-9(11)12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine?
2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine has a molecular weight of 227.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methylsulfanylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 164657198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).