1-ethyl-3-(2-morpholin-4-ylethyl)thiourea

C9H19N3OS — CID 886104

IUPAC1-ethyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCCNC(=S)NCCN1CCOCC1
InChIInChI=1S/C9H19N3OS/c1-2-10-9(14)11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11,14)
InChIKeyVJAYYQKGPUIIPR-UHFFFAOYSA-N
MW217.34 g/mol
LogP-0.20
Rot. Bonds4

About 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea

1-ethyl-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 886104) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID886104
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name1-ethyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCCNC(=S)NCCN1CCOCC1
InChIInChI=1S/C9H19N3OS/c1-2-10-9(14)11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11,14)
InChIKeyVJAYYQKGPUIIPR-UHFFFAOYSA-N
XLogP-0.20
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-0.20
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-ethyl-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea (CID 886104) is 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea is CCNC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is VJAYYQKGPUIIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-2-10-9(14)11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11,14).
What are the key properties of 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea?
1-ethyl-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 217.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 886104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).