1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea

C10H21N3OS — CID 58817795

IUPAC1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea
SMILESCCNC(=O)NCCCN1CCSCC1
InChIInChI=1S/C10H21N3OS/c1-2-11-10(14)12-4-3-5-13-6-8-15-9-7-13/h2-9H2,1H3,(H2,11,12,14)
InChIKeyZCVZKHWIZMUSKG-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.74
Rot. Bonds5

About 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea

1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea (PubChem CID 58817795) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea
PubChem CID58817795
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea
SMILESCCNC(=O)NCCCN1CCSCC1
InChIInChI=1S/C10H21N3OS/c1-2-11-10(14)12-4-3-5-13-6-8-15-9-7-13/h2-9H2,1H3,(H2,11,12,14)
InChIKeyZCVZKHWIZMUSKG-UHFFFAOYSA-N
XLogP0.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea?
The IUPAC name of 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea (CID 58817795) is 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea?
The canonical SMILES for 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea is CCNC(=O)NCCCN1CCSCC1.
What is the InChIKey of 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea?
The InChIKey is ZCVZKHWIZMUSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-2-11-10(14)12-4-3-5-13-6-8-15-9-7-13/h2-9H2,1H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea?
1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea has a molecular weight of 231.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-thiomorpholin-4-ylpropyl)urea is sourced from PubChem (CID 58817795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).