1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one

C7H13N3O2S — CID 43249696

IUPAC1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one
SMILESNCCSCC(=O)N1CCNC1=O
InChIInChI=1S/C7H13N3O2S/c8-1-4-13-5-6(11)10-3-2-9-7(10)12/h1-5,8H2,(H,9,12)
InChIKeyAWGTZVUPYALPML-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.77
Rot. Bonds4

About 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one

1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one (PubChem CID 43249696) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one
PubChem CID43249696
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one
SMILESNCCSCC(=O)N1CCNC1=O
InChIInChI=1S/C7H13N3O2S/c8-1-4-13-5-6(11)10-3-2-9-7(10)12/h1-5,8H2,(H,9,12)
InChIKeyAWGTZVUPYALPML-UHFFFAOYSA-N
XLogP-0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one (CID 43249696) is 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one is NCCSCC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one?
The InChIKey is AWGTZVUPYALPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-1-4-13-5-6(11)10-3-2-9-7(10)12/h1-5,8H2,(H,9,12).
What are the key properties of 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one?
1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one has a molecular weight of 203.27 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylsulfanyl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 43249696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).