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

C14H27N3OS — CID 87925608

IUPAC1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea
SMILESCCC(NC(=S)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H27N3OS/c1-2-13(17-8-10-18-11-9-17)16-14(19)15-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H2,15,16,19)
InChIKeyJAMKXOMLKUCVFE-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.85
Rot. Bonds4

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

1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea (PubChem CID 87925608) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea
PubChem CID87925608
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea
SMILESCCC(NC(=S)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H27N3OS/c1-2-13(17-8-10-18-11-9-17)16-14(19)15-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H2,15,16,19)
InChIKeyJAMKXOMLKUCVFE-UHFFFAOYSA-N
XLogP1.85
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea (CID 87925608) is 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea is CCC(NC(=S)NC1CCCCC1)N1CCOCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea?
The InChIKey is JAMKXOMLKUCVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-2-13(17-8-10-18-11-9-17)16-14(19)15-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H2,15,16,19).
What are the key properties of 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea?
1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea has a molecular weight of 285.46 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 87925608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).