3-morpholin-4-ylpropylthiourea

C8H17N3OS — CID 2760135

IUPAC3-morpholin-4-ylpropylthiourea
SMILESNC(=S)NCCCN1CCOCC1
InChIInChI=1S/C8H17N3OS/c9-8(13)10-2-1-3-11-4-6-12-7-5-11/h1-7H2,(H3,9,10,13)
InChIKeyZAANQRSELTXKBG-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.46
Rot. Bonds4

About 3-morpholin-4-ylpropylthiourea

3-morpholin-4-ylpropylthiourea (PubChem CID 2760135) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-morpholin-4-ylpropylthiourea.

Molecular Properties

Compound Name3-morpholin-4-ylpropylthiourea
PubChem CID2760135
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name3-morpholin-4-ylpropylthiourea
SMILESNC(=S)NCCCN1CCOCC1
InChIInChI=1S/C8H17N3OS/c9-8(13)10-2-1-3-11-4-6-12-7-5-11/h1-7H2,(H3,9,10,13)
InChIKeyZAANQRSELTXKBG-UHFFFAOYSA-N
XLogP-0.46
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-ylpropylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropylthiourea?
The IUPAC name of 3-morpholin-4-ylpropylthiourea (CID 2760135) is 3-morpholin-4-ylpropylthiourea.
What is the SMILES notation for 3-morpholin-4-ylpropylthiourea?
The canonical SMILES for 3-morpholin-4-ylpropylthiourea is NC(=S)NCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropylthiourea?
The InChIKey is ZAANQRSELTXKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c9-8(13)10-2-1-3-11-4-6-12-7-5-11/h1-7H2,(H3,9,10,13).
What are the key properties of 3-morpholin-4-ylpropylthiourea?
3-morpholin-4-ylpropylthiourea has a molecular weight of 203.31 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropylthiourea is sourced from PubChem (CID 2760135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).