1,3-bis(3-morpholin-4-ylpropyl)thiourea

C15H30N4O2S — CID 4056941

IUPAC1,3-bis(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)NCCCN1CCOCC1
InChIInChI=1S/C15H30N4O2S/c22-15(16-3-1-5-18-7-11-20-12-8-18)17-4-2-6-19-9-13-21-14-10-19/h1-14H2,(H2,16,17,22)
InChIKeyDMJQQHJNZVGDJV-UHFFFAOYSA-N
MW330.50 g/mol
LogP-0.10
Rot. Bonds8

About 1,3-bis(3-morpholin-4-ylpropyl)thiourea

1,3-bis(3-morpholin-4-ylpropyl)thiourea (PubChem CID 4056941) has the molecular formula C15H30N4O2S and a molecular weight of 330.50 g/mol. Its IUPAC name is 1,3-bis(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1,3-bis(3-morpholin-4-ylpropyl)thiourea
PubChem CID4056941
Molecular FormulaC15H30N4O2S
Molecular Weight330.50 g/mol
Exact Mass330.21
IUPAC Name1,3-bis(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)NCCCN1CCOCC1
InChIInChI=1S/C15H30N4O2S/c22-15(16-3-1-5-18-7-11-20-12-8-18)17-4-2-6-19-9-13-21-14-10-19/h1-14H2,(H2,16,17,22)
InChIKeyDMJQQHJNZVGDJV-UHFFFAOYSA-N
XLogP-0.10
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1,3-bis(3-morpholin-4-ylpropyl)thiourea (CID 4056941) is 1,3-bis(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1,3-bis(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1,3-bis(3-morpholin-4-ylpropyl)thiourea is S=C(NCCCN1CCOCC1)NCCCN1CCOCC1.
What is the InChIKey of 1,3-bis(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is DMJQQHJNZVGDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2S/c22-15(16-3-1-5-18-7-11-20-12-8-18)17-4-2-6-19-9-13-21-14-10-19/h1-14H2,(H2,16,17,22).
What are the key properties of 1,3-bis(3-morpholin-4-ylpropyl)thiourea?
1,3-bis(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 330.50 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 4056941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).