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

C8H14N2O4S — CID 79683003

IUPAC3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCC(O)CO
InChIInChI=1S/C8H14N2O4S/c11-4-6(12)5-15-2-1-10-7(13)3-9-8(10)14/h6,11-12H,1-5H2,(H,9,14)
InChIKeyQEBFDBADDKDRCF-UHFFFAOYSA-N
MW234.28 g/mol
LogP-1.38
Rot. Bonds6

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

3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione (PubChem CID 79683003) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione
PubChem CID79683003
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCC(O)CO
InChIInChI=1S/C8H14N2O4S/c11-4-6(12)5-15-2-1-10-7(13)3-9-8(10)14/h6,11-12H,1-5H2,(H,9,14)
InChIKeyQEBFDBADDKDRCF-UHFFFAOYSA-N
XLogP-1.38
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione (CID 79683003) is 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSCC(O)CO.
What is the InChIKey of 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is QEBFDBADDKDRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c11-4-6(12)5-15-2-1-10-7(13)3-9-8(10)14/h6,11-12H,1-5H2,(H,9,14).
What are the key properties of 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione?
3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 234.28 g/mol, XLogP of -1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroxypropylsulfanyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79683003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).