1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one

C10H19N3OS — CID 80585468

IUPAC1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCCS1
InChIInChI=1S/C10H19N3OS/c14-10-12-4-6-13(10)5-3-11-8-9-2-1-7-15-9/h9,11H,1-8H2,(H,12,14)
InChIKeyOQANXNQKYJGZFS-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.50
Rot. Bonds5

About 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one

1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one (PubChem CID 80585468) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one
PubChem CID80585468
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCCS1
InChIInChI=1S/C10H19N3OS/c14-10-12-4-6-13(10)5-3-11-8-9-2-1-7-15-9/h9,11H,1-8H2,(H,12,14)
InChIKeyOQANXNQKYJGZFS-UHFFFAOYSA-N
XLogP0.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one (CID 80585468) is 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC1CCCS1.
What is the InChIKey of 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one?
The InChIKey is OQANXNQKYJGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c14-10-12-4-6-13(10)5-3-11-8-9-2-1-7-15-9/h9,11H,1-8H2,(H,12,14).
What are the key properties of 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one?
1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one has a molecular weight of 229.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 80585468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).