3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C14H20ClN3O2S — CID 86927868

IUPAC3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H20ClN3O2S/c1-4-17(9-10-5-6-11(15)21-10)7-8-18-12(19)14(2,3)16-13(18)20/h5-6H,4,7-9H2,1-3H3,(H,16,20)
InChIKeyDZLJPMVVOMSDNF-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.55
Rot. Bonds6

About 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 86927868) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID86927868
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H20ClN3O2S/c1-4-17(9-10-5-6-11(15)21-10)7-8-18-12(19)14(2,3)16-13(18)20/h5-6H,4,7-9H2,1-3H3,(H,16,20)
InChIKeyDZLJPMVVOMSDNF-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.55
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 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 86927868) is 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CCN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is DZLJPMVVOMSDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-4-17(9-10-5-6-11(15)21-10)7-8-18-12(19)14(2,3)16-13(18)20/h5-6H,4,7-9H2,1-3H3,(H,16,20).
What are the key properties of 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 329.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 86927868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).