1,5-dicyclohexyl-1,3,5-triazinane-2-thione

C15H27N3S — CID 950747

IUPAC1,5-dicyclohexyl-1,3,5-triazinane-2-thione
SMILESS=C1NCN(C2CCCCC2)CN1C1CCCCC1
InChIInChI=1S/C15H27N3S/c19-15-16-11-17(13-7-3-1-4-8-13)12-18(15)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,16,19)
InChIKeyOKSWZNASDVVMHM-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.06
Rot. Bonds2

About 1,5-dicyclohexyl-1,3,5-triazinane-2-thione

1,5-dicyclohexyl-1,3,5-triazinane-2-thione (PubChem CID 950747) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1,5-dicyclohexyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name1,5-dicyclohexyl-1,3,5-triazinane-2-thione
PubChem CID950747
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1,5-dicyclohexyl-1,3,5-triazinane-2-thione
SMILESS=C1NCN(C2CCCCC2)CN1C1CCCCC1
InChIInChI=1S/C15H27N3S/c19-15-16-11-17(13-7-3-1-4-8-13)12-18(15)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,16,19)
InChIKeyOKSWZNASDVVMHM-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclohexyl-1,3,5-triazinane-2-thione?
The IUPAC name of 1,5-dicyclohexyl-1,3,5-triazinane-2-thione (CID 950747) is 1,5-dicyclohexyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 1,5-dicyclohexyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 1,5-dicyclohexyl-1,3,5-triazinane-2-thione is S=C1NCN(C2CCCCC2)CN1C1CCCCC1.
What is the InChIKey of 1,5-dicyclohexyl-1,3,5-triazinane-2-thione?
The InChIKey is OKSWZNASDVVMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c19-15-16-11-17(13-7-3-1-4-8-13)12-18(15)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,16,19).
What are the key properties of 1,5-dicyclohexyl-1,3,5-triazinane-2-thione?
1,5-dicyclohexyl-1,3,5-triazinane-2-thione has a molecular weight of 281.47 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclohexyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 950747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).