4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C15H19N5O2S2 — CID 101077299

IUPAC4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CSS(=O)(=O)c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H19N5O2S2/c16-14-17-13(18-15(19-14)20-9-5-2-6-10-20)11-23-24(21,22)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,16,17,18,19)
InChIKeyGFYKKHODICSGGJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.07
Rot. Bonds5

About 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 101077299) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID101077299
Molecular FormulaC15H19N5O2S2
Molecular Weight365.48 g/mol
Exact Mass365.10
IUPAC Name4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CSS(=O)(=O)c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H19N5O2S2/c16-14-17-13(18-15(19-14)20-9-5-2-6-10-20)11-23-24(21,22)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,16,17,18,19)
InChIKeyGFYKKHODICSGGJ-UHFFFAOYSA-N
XLogP2.07
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 101077299) is 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(CSS(=O)(=O)c2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is GFYKKHODICSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c16-14-17-13(18-15(19-14)20-9-5-2-6-10-20)11-23-24(21,22)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,16,17,18,19).
What are the key properties of 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 365.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 101077299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).