1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea

C11H21N3OS — CID 2031935

IUPAC1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)NC1CC1
InChIInChI=1S/C11H21N3OS/c16-11(13-10-2-3-10)12-4-1-5-14-6-8-15-9-7-14/h10H,1-9H2,(H2,12,13,16)
InChIKeyLUKZROWLIHMQLN-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.34
Rot. Bonds5

About 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea

1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 2031935) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID2031935
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)NC1CC1
InChIInChI=1S/C11H21N3OS/c16-11(13-10-2-3-10)12-4-1-5-14-6-8-15-9-7-14/h10H,1-9H2,(H2,12,13,16)
InChIKeyLUKZROWLIHMQLN-UHFFFAOYSA-N
XLogP0.34
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea (CID 2031935) is 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea is S=C(NCCCN1CCOCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is LUKZROWLIHMQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c16-11(13-10-2-3-10)12-4-1-5-14-6-8-15-9-7-14/h10H,1-9H2,(H2,12,13,16).
What are the key properties of 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea?
1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 243.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 2031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).