3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one

C5H9N3OS — CID 3032286

IUPAC3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one
SMILESNCCN1C(=O)CNC1=S
InChIInChI=1S/C5H9N3OS/c6-1-2-8-4(9)3-7-5(8)10/h1-3,6H2,(H,7,10)
InChIKeyJMURGYQYYMJASX-UHFFFAOYSA-N
MW159.21 g/mol
LogP-1.34
Rot. Bonds2

About 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one

3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 3032286) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID3032286
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one
SMILESNCCN1C(=O)CNC1=S
InChIInChI=1S/C5H9N3OS/c6-1-2-8-4(9)3-7-5(8)10/h1-3,6H2,(H,7,10)
InChIKeyJMURGYQYYMJASX-UHFFFAOYSA-N
XLogP-1.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one (CID 3032286) is 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one is NCCN1C(=O)CNC1=S.
What is the InChIKey of 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is JMURGYQYYMJASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c6-1-2-8-4(9)3-7-5(8)10/h1-3,6H2,(H,7,10).
What are the key properties of 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one?
3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 159.21 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3032286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).