6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine

C17H22N4S — CID 167263224

IUPAC6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
SMILESCC1(C)CCN(c2cnc(Sc3ccccc3)c(N)n2)CC1
InChIInChI=1S/C17H22N4S/c1-17(2)8-10-21(11-9-17)14-12-19-16(15(18)20-14)22-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,20)
InChIKeyTVMWKZINBLMLFK-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.84
Rot. Bonds3

About 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine

6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine (PubChem CID 167263224) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
PubChem CID167263224
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
SMILESCC1(C)CCN(c2cnc(Sc3ccccc3)c(N)n2)CC1
InChIInChI=1S/C17H22N4S/c1-17(2)8-10-21(11-9-17)14-12-19-16(15(18)20-14)22-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,20)
InChIKeyTVMWKZINBLMLFK-UHFFFAOYSA-N
XLogP3.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine?
The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine (CID 167263224) is 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine?
The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine is CC1(C)CCN(c2cnc(Sc3ccccc3)c(N)n2)CC1.
What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine?
The InChIKey is TVMWKZINBLMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-17(2)8-10-21(11-9-17)14-12-19-16(15(18)20-14)22-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,20).
What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine?
6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine has a molecular weight of 314.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine is sourced from PubChem (CID 167263224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).