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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Related Compounds

(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782
(3S,6S)-3,6-bis(4-aminobutyl)piperazine-2,5-dione;dihydrochloride
CID 175673132
5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 103090618
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
(3S,6R,9S,12R)-3,9-bis(4-aminobutyl)-6,12-dimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 102389498
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133
(3S)-3-(4-aminobutyl)piperazine-2,5-dione
CID 45115653
3-[(2S,5S)-5-(4-aminobutyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 12071938
2-[(2S,5S)-5-(4-aminobutyl)-3,6-dioxopiperazin-2-yl]acetamide
CID 171116500
5-(4-bromobutyl)imidazolidine-2,4-dione
CID 567967
10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
CID 146356521

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).