1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea

C15H29N3OS — CID 87850162

IUPAC1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCN(C(=S)NCCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H29N3OS/c1-17(14-6-3-2-4-7-14)15(20)16-8-5-9-18-10-12-19-13-11-18/h14H,2-13H2,1H3,(H,16,20)
InChIKeyFFEGCFABNBXZDT-UHFFFAOYSA-N
MW299.48 g/mol
LogP1.85
Rot. Bonds5

About 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea

1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 87850162) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID87850162
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCN(C(=S)NCCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H29N3OS/c1-17(14-6-3-2-4-7-14)15(20)16-8-5-9-18-10-12-19-13-11-18/h14H,2-13H2,1H3,(H,16,20)
InChIKeyFFEGCFABNBXZDT-UHFFFAOYSA-N
XLogP1.85
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea (CID 87850162) is 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea is CN(C(=S)NCCCN1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is FFEGCFABNBXZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-17(14-6-3-2-4-7-14)15(20)16-8-5-9-18-10-12-19-13-11-18/h14H,2-13H2,1H3,(H,16,20).
What are the key properties of 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea?
1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 299.48 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 87850162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).