3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea

C13H26N2S — CID 91154190

IUPAC3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea
SMILESCCN(CC(C)C)C(=S)NC1CCCCC1
InChIInChI=1S/C13H26N2S/c1-4-15(10-11(2)3)13(16)14-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyUVJNJBXPAHTBQN-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.17
Rot. Bonds4

About 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea

3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea (PubChem CID 91154190) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea
PubChem CID91154190
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea
SMILESCCN(CC(C)C)C(=S)NC1CCCCC1
InChIInChI=1S/C13H26N2S/c1-4-15(10-11(2)3)13(16)14-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyUVJNJBXPAHTBQN-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-ethyl-1-(2-methylpropyl)thiourea
CID 116507355
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
3-cyclohexyl-1-(2-methylpropyl)-1-propan-2-ylthiourea
CID 116507805
3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
CID 116508733
3-cyclopentyl-1-(2-methylpropyl)-1-pentan-3-ylthiourea
CID 116509372
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448
3-cyclopropyl-1-ethyl-1-propan-2-ylthiourea
CID 116507332
3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
CID 116507156
1-butyl-3-cyclopropyl-1-ethylthiourea
CID 115570266
3-cyclopropyl-1,1-dipropylthiourea
CID 19653025
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
CID 71893777
3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide
CID 113115917

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea (CID 91154190) is 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea is CCN(CC(C)C)C(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea?
The InChIKey is UVJNJBXPAHTBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-4-15(10-11(2)3)13(16)14-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea?
3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea has a molecular weight of 242.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea is sourced from PubChem (CID 91154190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).