1-cyclohexyl-1,3-diazinane-2-thione

C10H18N2S — CID 2806812

IUPAC1-cyclohexyl-1,3-diazinane-2-thione
SMILESS=C1NCCCN1C1CCCCC1
InChIInChI=1S/C10H18N2S/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h9H,1-8H2,(H,11,13)
InChIKeyFESOMPBRLQGIDI-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.90
Rot. Bonds1

About 1-cyclohexyl-1,3-diazinane-2-thione

1-cyclohexyl-1,3-diazinane-2-thione (PubChem CID 2806812) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-cyclohexyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name1-cyclohexyl-1,3-diazinane-2-thione
PubChem CID2806812
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-cyclohexyl-1,3-diazinane-2-thione
SMILESS=C1NCCCN1C1CCCCC1
InChIInChI=1S/C10H18N2S/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h9H,1-8H2,(H,11,13)
InChIKeyFESOMPBRLQGIDI-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-1,3-diazinane-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-cyclohexyl-1,3-diazinane-2-thione?
The IUPAC name of 1-cyclohexyl-1,3-diazinane-2-thione (CID 2806812) is 1-cyclohexyl-1,3-diazinane-2-thione.
What is the SMILES notation for 1-cyclohexyl-1,3-diazinane-2-thione?
The canonical SMILES for 1-cyclohexyl-1,3-diazinane-2-thione is S=C1NCCCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,3-diazinane-2-thione?
The InChIKey is FESOMPBRLQGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h9H,1-8H2,(H,11,13).
What are the key properties of 1-cyclohexyl-1,3-diazinane-2-thione?
1-cyclohexyl-1,3-diazinane-2-thione has a molecular weight of 198.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3-diazinane-2-thione is sourced from PubChem (CID 2806812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).