(5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

C10H12N2O2S2 — CID 102323015

IUPAC(5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESCSCC[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C10H12N2O2S2/c1-15-4-3-8-9(13)12(10(14)11-8)7-2-5-16-6-7/h2,5-6,8H,3-4H2,1H3,(H,11,14)/t8-/m0/s1
InChIKeyPCOWLVOPBBATGI-QMMMGPOBSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds4

About (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

(5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323015) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323015
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name(5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESCSCC[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C10H12N2O2S2/c1-15-4-3-8-9(13)12(10(14)11-8)7-2-5-16-6-7/h2,5-6,8H,3-4H2,1H3,(H,11,14)/t8-/m0/s1
InChIKeyPCOWLVOPBBATGI-QMMMGPOBSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323015) is (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is CSCC[C@@H]1NC(=O)N(c2ccsc2)C1=O.
What is the InChIKey of (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is PCOWLVOPBBATGI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-15-4-3-8-9(13)12(10(14)11-8)7-2-5-16-6-7/h2,5-6,8H,3-4H2,1H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
(5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 256.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylsulfanylethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).