4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine

C12H19N5S — CID 91773444

IUPAC4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine
SMILESc1ncnc(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C12H19N5S/c1-3-17(12-14-9-13-10-15-12)4-2-11(1)16-5-7-18-8-6-16/h9-11H,1-8H2
InChIKeyWPJRZCCHZVRPSY-UHFFFAOYSA-N
MW265.39 g/mol
LogP0.89
Rot. Bonds2

About 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine

4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine (PubChem CID 91773444) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine
PubChem CID91773444
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine
SMILESc1ncnc(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C12H19N5S/c1-3-17(12-14-9-13-10-15-12)4-2-11(1)16-5-7-18-8-6-16/h9-11H,1-8H2
InChIKeyWPJRZCCHZVRPSY-UHFFFAOYSA-N
XLogP0.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine (CID 91773444) is 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine is c1ncnc(N2CCC(N3CCSCC3)CC2)n1.
What is the InChIKey of 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine?
The InChIKey is WPJRZCCHZVRPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-3-17(12-14-9-13-10-15-12)4-2-11(1)16-5-7-18-8-6-16/h9-11H,1-8H2.
What are the key properties of 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine?
4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine has a molecular weight of 265.39 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 91773444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).