5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one

C11H20N2OS — CID 103065491

IUPAC5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one
SMILESCCC1(C)NC(C)N(C2CCSC2)C1=O
InChIInChI=1S/C11H20N2OS/c1-4-11(3)10(14)13(8(2)12-11)9-5-6-15-7-9/h8-9,12H,4-7H2,1-3H3
InChIKeyPYJMEHYFSGCOJA-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.44
Rot. Bonds2

About 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one

5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one (PubChem CID 103065491) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one
PubChem CID103065491
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one
SMILESCCC1(C)NC(C)N(C2CCSC2)C1=O
InChIInChI=1S/C11H20N2OS/c1-4-11(3)10(14)13(8(2)12-11)9-5-6-15-7-9/h8-9,12H,4-7H2,1-3H3
InChIKeyPYJMEHYFSGCOJA-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one (CID 103065491) is 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one is CCC1(C)NC(C)N(C2CCSC2)C1=O.
What is the InChIKey of 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one?
The InChIKey is PYJMEHYFSGCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-11(3)10(14)13(8(2)12-11)9-5-6-15-7-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one?
5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one has a molecular weight of 228.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 103065491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).