3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione

C7H13N3O2S — CID 43249489

IUPAC3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESNCCSCCN1C(=O)CNC1=O
InChIInChI=1S/C7H13N3O2S/c8-1-3-13-4-2-10-6(11)5-9-7(10)12/h1-5,8H2,(H,9,12)
InChIKeyFZXQLVXJOGLGLH-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.77
Rot. Bonds5

About 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione

3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione (PubChem CID 43249489) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione
PubChem CID43249489
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESNCCSCCN1C(=O)CNC1=O
InChIInChI=1S/C7H13N3O2S/c8-1-3-13-4-2-10-6(11)5-9-7(10)12/h1-5,8H2,(H,9,12)
InChIKeyFZXQLVXJOGLGLH-UHFFFAOYSA-N
XLogP-0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione (CID 43249489) is 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione is NCCSCCN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is FZXQLVXJOGLGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-1-3-13-4-2-10-6(11)5-9-7(10)12/h1-5,8H2,(H,9,12).
What are the key properties of 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione?
3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 203.27 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 43249489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).