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

C17H31N3S — CID 10380651

IUPAC1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione
SMILESCCN1CN(C2CCCCC2)CN(C2CCCCC2)C1=S
InChIInChI=1S/C17H31N3S/c1-2-18-13-19(15-9-5-3-6-10-15)14-20(17(18)21)16-11-7-4-8-12-16/h15-16H,2-14H2,1H3
InChIKeyPXRNTIMDGXKRAQ-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.79
Rot. Bonds3

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

1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione (PubChem CID 10380651) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione
PubChem CID10380651
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione
SMILESCCN1CN(C2CCCCC2)CN(C2CCCCC2)C1=S
InChIInChI=1S/C17H31N3S/c1-2-18-13-19(15-9-5-3-6-10-15)14-20(17(18)21)16-11-7-4-8-12-16/h15-16H,2-14H2,1H3
InChIKeyPXRNTIMDGXKRAQ-UHFFFAOYSA-N
XLogP3.79
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione?
The IUPAC name of 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione (CID 10380651) is 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione is CCN1CN(C2CCCCC2)CN(C2CCCCC2)C1=S.
What is the InChIKey of 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione?
The InChIKey is PXRNTIMDGXKRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-2-18-13-19(15-9-5-3-6-10-15)14-20(17(18)21)16-11-7-4-8-12-16/h15-16H,2-14H2,1H3.
What are the key properties of 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione?
1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione has a molecular weight of 309.52 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 10380651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).