2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine

C15H17ClN4S — CID 62867380

IUPAC2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
SMILESClc1nc(SCc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H17ClN4S/c16-13-17-14(20-9-5-2-6-10-20)19-15(18-13)21-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyHQFGAOPWVKZJKR-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.81
Rot. Bonds4

About 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine

2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 62867380) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
PubChem CID62867380
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
SMILESClc1nc(SCc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H17ClN4S/c16-13-17-14(20-9-5-2-6-10-20)19-15(18-13)21-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyHQFGAOPWVKZJKR-UHFFFAOYSA-N
XLogP3.81
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
CID 62867554
2-chloro-4-(2-methylpropylsulfanyl)-6-piperidin-1-yl-1,3,5-triazine
CID 62868055
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872274
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
4-(azepan-1-yl)-6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 32802312
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
2-chloro-4-(2-methylbutylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 107751243
2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865626
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80893879
methyl 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoate
CID 62867902
2-chloro-4-(4-fluorophenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865441
2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737099

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine (CID 62867380) is 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine is Clc1nc(SCc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is HQFGAOPWVKZJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c16-13-17-14(20-9-5-2-6-10-20)19-15(18-13)21-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine?
2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 320.85 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62867380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).