3-morpholin-4-ylprop-2-enylthiourea

C8H15N3OS — CID 173172476

IUPAC3-morpholin-4-ylprop-2-enylthiourea
SMILESNC(=S)NCC=CN1CCOCC1
InChIInChI=1S/C8H15N3OS/c9-8(13)10-2-1-3-11-4-6-12-7-5-11/h1,3H,2,4-7H2,(H3,9,10,13)
InChIKeyWINOEQMUKSRQCX-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.33
Rot. Bonds3

About 3-morpholin-4-ylprop-2-enylthiourea

3-morpholin-4-ylprop-2-enylthiourea (PubChem CID 173172476) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-morpholin-4-ylprop-2-enylthiourea.

Molecular Properties

Compound Name3-morpholin-4-ylprop-2-enylthiourea
PubChem CID173172476
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-morpholin-4-ylprop-2-enylthiourea
SMILESNC(=S)NCC=CN1CCOCC1
InChIInChI=1S/C8H15N3OS/c9-8(13)10-2-1-3-11-4-6-12-7-5-11/h1,3H,2,4-7H2,(H3,9,10,13)
InChIKeyWINOEQMUKSRQCX-UHFFFAOYSA-N
XLogP-0.33
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.33
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 3-morpholin-4-ylprop-2-enylthiourea?
The IUPAC name of 3-morpholin-4-ylprop-2-enylthiourea (CID 173172476) is 3-morpholin-4-ylprop-2-enylthiourea.
What is the SMILES notation for 3-morpholin-4-ylprop-2-enylthiourea?
The canonical SMILES for 3-morpholin-4-ylprop-2-enylthiourea is NC(=S)NCC=CN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylprop-2-enylthiourea?
The InChIKey is WINOEQMUKSRQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c9-8(13)10-2-1-3-11-4-6-12-7-5-11/h1,3H,2,4-7H2,(H3,9,10,13).
What are the key properties of 3-morpholin-4-ylprop-2-enylthiourea?
3-morpholin-4-ylprop-2-enylthiourea has a molecular weight of 201.29 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylprop-2-enylthiourea is sourced from PubChem (CID 173172476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).