1-cyclooctyl-3-propylthiourea

C12H24N2S — CID 19650537

IUPAC1-cyclooctyl-3-propylthiourea
SMILESCCCNC(=S)NC1CCCCCCC1
InChIInChI=1S/C12H24N2S/c1-2-10-13-12(15)14-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3,(H2,13,14,15)
InChIKeyPSKIEQHRODUVFA-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.97
Rot. Bonds3

About 1-cyclooctyl-3-propylthiourea

1-cyclooctyl-3-propylthiourea (PubChem CID 19650537) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-cyclooctyl-3-propylthiourea.

Molecular Properties

Compound Name1-cyclooctyl-3-propylthiourea
PubChem CID19650537
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-cyclooctyl-3-propylthiourea
SMILESCCCNC(=S)NC1CCCCCCC1
InChIInChI=1S/C12H24N2S/c1-2-10-13-12(15)14-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3,(H2,13,14,15)
InChIKeyPSKIEQHRODUVFA-UHFFFAOYSA-N
XLogP2.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclooctyl-3-propylthiourea 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-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclopentyl-3-heptylthiourea
CID 19650876
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
2-(cyclohexylcarbamothioylamino)ethyl-diethylazanium
CID 2350192
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
CID 115760787
1-cyclopropyl-3-pentylthiourea
CID 19650722
1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea
CID 116510121
4-(cyclohexylcarbamothioylamino)butanoate
CID 6999010
1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea
CID 19652807
1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea
CID 116510153
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propylthiourea
CID 113245352
1-cyclopentyl-3-propylurea
CID 14343339

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-propylthiourea?
The IUPAC name of 1-cyclooctyl-3-propylthiourea (CID 19650537) is 1-cyclooctyl-3-propylthiourea.
What is the SMILES notation for 1-cyclooctyl-3-propylthiourea?
The canonical SMILES for 1-cyclooctyl-3-propylthiourea is CCCNC(=S)NC1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-3-propylthiourea?
The InChIKey is PSKIEQHRODUVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-10-13-12(15)14-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclooctyl-3-propylthiourea?
1-cyclooctyl-3-propylthiourea has a molecular weight of 228.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-propylthiourea is sourced from PubChem (CID 19650537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).