5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione

C13H25N3S — CID 54125163

IUPAC5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione
SMILESCCN1CN(C2CCCCC2)CN(CC)C1=S
InChIInChI=1S/C13H25N3S/c1-3-14-10-16(11-15(4-2)13(14)17)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeyNQKYSBWIWPRICP-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.48
Rot. Bonds3

About 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione

5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione (PubChem CID 54125163) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione
PubChem CID54125163
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione
SMILESCCN1CN(C2CCCCC2)CN(CC)C1=S
InChIInChI=1S/C13H25N3S/c1-3-14-10-16(11-15(4-2)13(14)17)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeyNQKYSBWIWPRICP-UHFFFAOYSA-N
XLogP2.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
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 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione?
The IUPAC name of 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione (CID 54125163) is 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione is CCN1CN(C2CCCCC2)CN(CC)C1=S.
What is the InChIKey of 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione?
The InChIKey is NQKYSBWIWPRICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-3-14-10-16(11-15(4-2)13(14)17)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3.
What are the key properties of 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione?
5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione has a molecular weight of 255.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 54125163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).