3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea

C15H30N2S — CID 116509372

IUPAC3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea
SMILESCCC(CC)N(CC(C)C)C(=S)NC1CCCC1
InChIInChI=1S/C15H30N2S/c1-5-14(6-2)17(11-12(3)4)15(18)16-13-9-7-8-10-13/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyNPFJDFFMPOQWHO-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.95
Rot. Bonds6

About 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea

3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea (PubChem CID 116509372) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea
PubChem CID116509372
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea
SMILESCCC(CC)N(CC(C)C)C(=S)NC1CCCC1
InChIInChI=1S/C15H30N2S/c1-5-14(6-2)17(11-12(3)4)15(18)16-13-9-7-8-10-13/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyNPFJDFFMPOQWHO-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea 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 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea?
The IUPAC name of 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea (CID 116509372) is 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea.
What is the SMILES notation for 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea?
The canonical SMILES for 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea is CCC(CC)N(CC(C)C)C(=S)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea?
The InChIKey is NPFJDFFMPOQWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-14(6-2)17(11-12(3)4)15(18)16-13-9-7-8-10-13/h12-14H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea?
3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea has a molecular weight of 270.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea is sourced from PubChem (CID 116509372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).