5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one

C10H18N2OS — CID 103065526

IUPAC5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one
SMILESCCC1(C)NCN(C2CCSC2)C1=O
InChIInChI=1S/C10H18N2OS/c1-3-10(2)9(13)12(7-11-10)8-4-5-14-6-8/h8,11H,3-7H2,1-2H3
InChIKeyGYYQLLAQQCIKCP-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.05
Rot. Bonds2

About 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one

5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one (PubChem CID 103065526) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one
PubChem CID103065526
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one
SMILESCCC1(C)NCN(C2CCSC2)C1=O
InChIInChI=1S/C10H18N2OS/c1-3-10(2)9(13)12(7-11-10)8-4-5-14-6-8/h8,11H,3-7H2,1-2H3
InChIKeyGYYQLLAQQCIKCP-UHFFFAOYSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one (CID 103065526) is 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one is CCC1(C)NCN(C2CCSC2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one?
The InChIKey is GYYQLLAQQCIKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-10(2)9(13)12(7-11-10)8-4-5-14-6-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one?
5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one has a molecular weight of 214.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-(thiolan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 103065526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).