1-cyclohexyl-3-[(E)-decylideneamino]thiourea

C17H33N3S — CID 17337729

IUPAC1-cyclohexyl-3-[(E)-decylideneamino]thiourea
SMILESCCCCCCCCC/C=N/NC(=S)NC1CCCCC1
InChIInChI=1S/C17H33N3S/c1-2-3-4-5-6-7-8-12-15-18-20-17(21)19-16-13-10-9-11-14-16/h15-16H,2-14H2,1H3,(H2,19,20,21)/b18-15+
InChIKeyNBNWTHVIJSZXDA-OBGWFSINSA-N
MW311.54 g/mol
LogP4.91
Rot. Bonds10

About 1-cyclohexyl-3-[(E)-decylideneamino]thiourea

1-cyclohexyl-3-[(E)-decylideneamino]thiourea (PubChem CID 17337729) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-decylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-decylideneamino]thiourea
PubChem CID17337729
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name1-cyclohexyl-3-[(E)-decylideneamino]thiourea
SMILESCCCCCCCCC/C=N/NC(=S)NC1CCCCC1
InChIInChI=1S/C17H33N3S/c1-2-3-4-5-6-7-8-12-15-18-20-17(21)19-16-13-10-9-11-14-16/h15-16H,2-14H2,1H3,(H2,19,20,21)/b18-15+
InChIKeyNBNWTHVIJSZXDA-OBGWFSINSA-N
XLogP4.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[(E)-decylideneamino]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 1-cyclohexyl-3-[(E)-decylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(E)-decylideneamino]thiourea (CID 17337729) is 1-cyclohexyl-3-[(E)-decylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-decylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-decylideneamino]thiourea is CCCCCCCCC/C=N/NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-decylideneamino]thiourea?
The InChIKey is NBNWTHVIJSZXDA-OBGWFSINSA-N. The full InChI is InChI=1S/C17H33N3S/c1-2-3-4-5-6-7-8-12-15-18-20-17(21)19-16-13-10-9-11-14-16/h15-16H,2-14H2,1H3,(H2,19,20,21)/b18-15+.
What are the key properties of 1-cyclohexyl-3-[(E)-decylideneamino]thiourea?
1-cyclohexyl-3-[(E)-decylideneamino]thiourea has a molecular weight of 311.54 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-decylideneamino]thiourea is sourced from PubChem (CID 17337729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).