1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea

C17H25N3OS — CID 17078599

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C17H25N3OS/c22-17(18-6-3-7-20-8-10-21-11-9-20)19-16-12-14-4-1-2-5-15(14)13-16/h1-2,4-5,16H,3,6-13H2,(H2,18,19,22)
InChIKeyUIAKPAYLDBEDJW-UHFFFAOYSA-N
MW319.47 g/mol
LogP1.34
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 17078599) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID17078599
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)NC1Cc2ccccc2C1
InChIInChI=1S/C17H25N3OS/c22-17(18-6-3-7-20-8-10-21-11-9-20)19-16-12-14-4-1-2-5-15(14)13-16/h1-2,4-5,16H,3,6-13H2,(H2,18,19,22)
InChIKeyUIAKPAYLDBEDJW-UHFFFAOYSA-N
XLogP1.34
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.34
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-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 17078599) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea is S=C(NCCCN1CCOCC1)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is UIAKPAYLDBEDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c22-17(18-6-3-7-20-8-10-21-11-9-20)19-16-12-14-4-1-2-5-15(14)13-16/h1-2,4-5,16H,3,6-13H2,(H2,18,19,22).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 319.47 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 17078599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).