3-cyclohexyl-1-cyclopropyl-1-propylthiourea

C13H24N2S — CID 115611465

IUPAC3-cyclohexyl-1-cyclopropyl-1-propylthiourea
SMILESCCCN(C(=S)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2S/c1-2-10-15(12-8-9-12)13(16)14-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyUDFOCLJKXUEZFJ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.07
Rot. Bonds4

About 3-cyclohexyl-1-cyclopropyl-1-propylthiourea

3-cyclohexyl-1-cyclopropyl-1-propylthiourea (PubChem CID 115611465) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-cyclopropyl-1-propylthiourea.

Molecular Properties

Compound Name3-cyclohexyl-1-cyclopropyl-1-propylthiourea
PubChem CID115611465
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3-cyclohexyl-1-cyclopropyl-1-propylthiourea
SMILESCCCN(C(=S)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2S/c1-2-10-15(12-8-9-12)13(16)14-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyUDFOCLJKXUEZFJ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-1,3-dicyclopropylthiourea
CID 115579485
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
CID 71893777
3-cyclopropyl-1,1-dipropylthiourea
CID 19653025
1-butyl-3-cyclopentyl-1-methylthiourea
CID 116507159
1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
CID 115583562
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea
CID 91154190
3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
CID 113224002
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
1-cyclooctyl-3-propylthiourea
CID 19650537
3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
CID 116508733
1-benzyl-3-cyclooctyl-1-(1-methylpiperidin-4-yl)thiourea
CID 17065687

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-cyclopropyl-1-propylthiourea?
The IUPAC name of 3-cyclohexyl-1-cyclopropyl-1-propylthiourea (CID 115611465) is 3-cyclohexyl-1-cyclopropyl-1-propylthiourea.
What is the SMILES notation for 3-cyclohexyl-1-cyclopropyl-1-propylthiourea?
The canonical SMILES for 3-cyclohexyl-1-cyclopropyl-1-propylthiourea is CCCN(C(=S)NC1CCCCC1)C1CC1.
What is the InChIKey of 3-cyclohexyl-1-cyclopropyl-1-propylthiourea?
The InChIKey is UDFOCLJKXUEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-10-15(12-8-9-12)13(16)14-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1-cyclopropyl-1-propylthiourea?
3-cyclohexyl-1-cyclopropyl-1-propylthiourea has a molecular weight of 240.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-cyclopropyl-1-propylthiourea is sourced from PubChem (CID 115611465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).