2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine

C15H17ClN4OS — CID 2968144

IUPAC2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCOc1nc(Sc2ccc(Cl)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H17ClN4OS/c1-21-14-17-13(20-9-3-2-4-10-20)18-15(19-14)22-12-7-5-11(16)6-8-12/h5-8H,2-4,9-10H2,1H3
InChIKeyKOCWOACFEGAUSB-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine

2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 2968144) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
PubChem CID2968144
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCOc1nc(Sc2ccc(Cl)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H17ClN4OS/c1-21-14-17-13(20-9-3-2-4-10-20)18-15(19-14)22-12-7-5-11(16)6-8-12/h5-8H,2-4,9-10H2,1H3
InChIKeyKOCWOACFEGAUSB-UHFFFAOYSA-N
XLogP3.68
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine (CID 2968144) is 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine is COc1nc(Sc2ccc(Cl)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is KOCWOACFEGAUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-21-14-17-13(20-9-3-2-4-10-20)18-15(19-14)22-12-7-5-11(16)6-8-12/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 336.85 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-4-methoxy-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 2968144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).