6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine

C16H20ClN5S — CID 118248920

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccccc3Cl)c(N)n2)CC1
InChIInChI=1S/C16H20ClN5S/c1-16(19)6-8-22(9-7-16)13-10-20-15(14(18)21-13)23-12-5-3-2-4-11(12)17/h2-5,10H,6-9,19H2,1H3,(H2,18,21)
InChIKeyHPRNFWNEHIBURH-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.18
Rot. Bonds3

About 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine (PubChem CID 118248920) has the molecular formula C16H20ClN5S and a molecular weight of 349.89 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine
PubChem CID118248920
Molecular FormulaC16H20ClN5S
Molecular Weight349.89 g/mol
Exact Mass349.11
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccccc3Cl)c(N)n2)CC1
InChIInChI=1S/C16H20ClN5S/c1-16(19)6-8-22(9-7-16)13-10-20-15(14(18)21-13)23-12-5-3-2-4-11(12)17/h2-5,10H,6-9,19H2,1H3,(H2,18,21)
InChIKeyHPRNFWNEHIBURH-UHFFFAOYSA-N
XLogP3.18
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine (CID 118248920) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine is CC1(N)CCN(c2cnc(Sc3ccccc3Cl)c(N)n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine?
The InChIKey is HPRNFWNEHIBURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5S/c1-16(19)6-8-22(9-7-16)13-10-20-15(14(18)21-13)23-12-5-3-2-4-11(12)17/h2-5,10H,6-9,19H2,1H3,(H2,18,21).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine has a molecular weight of 349.89 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 118248920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).