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

C11H21N3S — CID 950749

IUPAC5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione
SMILESCCN1CN(C2CCCCC2)CNC1=S
InChIInChI=1S/C11H21N3S/c1-2-13-9-14(8-12-11(13)15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,12,15)
InChIKeyNMOBWQTVPAUEOX-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.75
Rot. Bonds2

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

5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione (PubChem CID 950749) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione
PubChem CID950749
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione
SMILESCCN1CN(C2CCCCC2)CNC1=S
InChIInChI=1S/C11H21N3S/c1-2-13-9-14(8-12-11(13)15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,12,15)
InChIKeyNMOBWQTVPAUEOX-UHFFFAOYSA-N
XLogP1.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.75
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 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione?
The IUPAC name of 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione (CID 950749) is 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione is CCN1CN(C2CCCCC2)CNC1=S.
What is the InChIKey of 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione?
The InChIKey is NMOBWQTVPAUEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-2-13-9-14(8-12-11(13)15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,12,15).
What are the key properties of 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione?
5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione has a molecular weight of 227.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-ethyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 950749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).