3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H17ClN2O2S — CID 2215889

IUPAC3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H17ClN2O2S/c1-14(2)12(18)17(13(19)16-14)8-3-9-20-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyIEXIPVOEJYZIOP-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.15
Rot. Bonds5

About 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2215889) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2215889
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H17ClN2O2S/c1-14(2)12(18)17(13(19)16-14)8-3-9-20-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyIEXIPVOEJYZIOP-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2215889) is 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCSc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IEXIPVOEJYZIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-14(2)12(18)17(13(19)16-14)8-3-9-20-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 312.82 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2215889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).