1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

C13H22ClN5S — CID 88822901

IUPAC1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCSc1nc(Cl)nc(N2C(C)(C)CC(N)CC2(C)C)n1
InChIInChI=1S/C13H22ClN5S/c1-12(2)6-8(15)7-13(3,4)19(12)10-16-9(14)17-11(18-10)20-5/h8H,6-7,15H2,1-5H3
InChIKeyHCJMZOHJMOWXGI-UHFFFAOYSA-N
MW315.87 g/mol
LogP2.73
Rot. Bonds2

About 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 88822901) has the molecular formula C13H22ClN5S and a molecular weight of 315.87 g/mol. Its IUPAC name is 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID88822901
Molecular FormulaC13H22ClN5S
Molecular Weight315.87 g/mol
Exact Mass315.13
IUPAC Name1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCSc1nc(Cl)nc(N2C(C)(C)CC(N)CC2(C)C)n1
InChIInChI=1S/C13H22ClN5S/c1-12(2)6-8(15)7-13(3,4)19(12)10-16-9(14)17-11(18-10)20-5/h8H,6-7,15H2,1-5H3
InChIKeyHCJMZOHJMOWXGI-UHFFFAOYSA-N
XLogP2.73
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 88822901) is 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine is CSc1nc(Cl)nc(N2C(C)(C)CC(N)CC2(C)C)n1.
What is the InChIKey of 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is HCJMZOHJMOWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5S/c1-12(2)6-8(15)7-13(3,4)19(12)10-16-9(14)17-11(18-10)20-5/h8H,6-7,15H2,1-5H3.
What are the key properties of 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 315.87 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 88822901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).