[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea

C11H19N3S — CID 3003803

IUPAC[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea
SMILESCC(C)=C1CCC(C)CC1=NNC(N)=S
InChIInChI=1S/C11H19N3S/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h8H,4-6H2,1-3H3,(H3,12,14,15)
InChIKeyUPAABZKHOOKUFQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.33
Rot. Bonds1

About [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea

[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea (PubChem CID 3003803) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea
PubChem CID3003803
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea
SMILESCC(C)=C1CCC(C)CC1=NNC(N)=S
InChIInChI=1S/C11H19N3S/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h8H,4-6H2,1-3H3,(H3,12,14,15)
InChIKeyUPAABZKHOOKUFQ-UHFFFAOYSA-N
XLogP2.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea 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 [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea?
The IUPAC name of [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea (CID 3003803) is [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea.
What is the SMILES notation for [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea?
The canonical SMILES for [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea is CC(C)=C1CCC(C)CC1=NNC(N)=S.
What is the InChIKey of [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea?
The InChIKey is UPAABZKHOOKUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h8H,4-6H2,1-3H3,(H3,12,14,15).
What are the key properties of [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea?
[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea has a molecular weight of 225.36 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea is sourced from PubChem (CID 3003803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).