1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea

C13H26N2S — CID 116510121

IUPAC1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea
SMILESCCCC(C)(C)NC(=S)NC1CCCCC1
InChIInChI=1S/C13H26N2S/c1-4-10-13(2,3)15-12(16)14-11-8-6-5-7-9-11/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyRGQBUBGHMJPYJP-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.36
Rot. Bonds4

About 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea

1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea (PubChem CID 116510121) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea
PubChem CID116510121
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea
SMILESCCCC(C)(C)NC(=S)NC1CCCCC1
InChIInChI=1S/C13H26N2S/c1-4-10-13(2,3)15-12(16)14-11-8-6-5-7-9-11/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyRGQBUBGHMJPYJP-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(2-methylpentan-2-yl)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

1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea
CID 19652807
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cyclopentyl-3-(2,2-difluoropropyl)thiourea
CID 164654773
N-cyclohexyl-2-(2-methylpentan-2-ylamino)acetamide
CID 115621342
1-cyclopentyl-3-heptylthiourea
CID 19650876
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
N-cyclohexyl-3,3-dimethylhexanamide
CID 142647386
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
2-(cyclohexylcarbamothioylamino)ethyl-diethylazanium
CID 2350192

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea (CID 116510121) is 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea is CCCC(C)(C)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea?
The InChIKey is RGQBUBGHMJPYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-4-10-13(2,3)15-12(16)14-11-8-6-5-7-9-11/h11H,4-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea?
1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea has a molecular weight of 242.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea is sourced from PubChem (CID 116510121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).