4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C14H23N5S — CID 80886210

IUPAC4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SC2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H23N5S/c15-12-16-13(19-9-5-2-6-10-19)18-14(17-12)20-11-7-3-1-4-8-11/h11H,1-10H2,(H2,15,16,17,18)
InChIKeyHMMBQZZYNUQLRF-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.87
Rot. Bonds3

About 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80886210) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80886210
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SC2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H23N5S/c15-12-16-13(19-9-5-2-6-10-19)18-14(17-12)20-11-7-3-1-4-8-11/h11H,1-10H2,(H2,15,16,17,18)
InChIKeyHMMBQZZYNUQLRF-UHFFFAOYSA-N
XLogP2.87
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-(cyclohexylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80880804
4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80834390
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928400
2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80830801
4-(2-methyloxolan-3-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 107765184

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80886210) is 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(SC2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HMMBQZZYNUQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c15-12-16-13(19-9-5-2-6-10-19)18-14(17-12)20-11-7-3-1-4-8-11/h11H,1-10H2,(H2,15,16,17,18).
What are the key properties of 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 293.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).