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

C13H25N3OS — CID 87166147

IUPAC1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea
SMILESCC(NC(=S)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H25N3OS/c1-11(16-7-9-17-10-8-16)14-13(18)15-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H2,14,15,18)
InChIKeyLYUOWJDRPICJDU-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.46
Rot. Bonds3

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

1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea (PubChem CID 87166147) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea
PubChem CID87166147
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea
SMILESCC(NC(=S)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H25N3OS/c1-11(16-7-9-17-10-8-16)14-13(18)15-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H2,14,15,18)
InChIKeyLYUOWJDRPICJDU-UHFFFAOYSA-N
XLogP1.46
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.46
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-ylethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea (CID 87166147) is 1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea is CC(NC(=S)NC1CCCCC1)N1CCOCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea?
The InChIKey is LYUOWJDRPICJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-11(16-7-9-17-10-8-16)14-13(18)15-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H2,14,15,18).
What are the key properties of 1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea?
1-cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea has a molecular weight of 271.43 g/mol, XLogP of 1.46, 3 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-ylethyl)thiourea is sourced from PubChem (CID 87166147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).