5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one

C8H15N3OS — CID 88519630

IUPAC5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one
SMILESNCCCCCC1NC(=S)NC1=O
InChIInChI=1S/C8H15N3OS/c9-5-3-1-2-4-6-7(12)11-8(13)10-6/h6H,1-5,9H2,(H2,10,11,12,13)
InChIKeyLMOIKKZYAUMHBA-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.12
Rot. Bonds5

About 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one

5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 88519630) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID88519630
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one
SMILESNCCCCCC1NC(=S)NC1=O
InChIInChI=1S/C8H15N3OS/c9-5-3-1-2-4-6-7(12)11-8(13)10-6/h6H,1-5,9H2,(H2,10,11,12,13)
InChIKeyLMOIKKZYAUMHBA-UHFFFAOYSA-N
XLogP-0.12
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
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 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one (CID 88519630) is 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one is NCCCCCC1NC(=S)NC1=O.
What is the InChIKey of 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LMOIKKZYAUMHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c9-5-3-1-2-4-6-7(12)11-8(13)10-6/h6H,1-5,9H2,(H2,10,11,12,13).
What are the key properties of 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one?
5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 201.29 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 88519630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).