5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

C14H26N2OS — CID 83271309

IUPAC5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(C)(CC)C(=O)N1CC1CCCS1
InChIInChI=1S/C14H26N2OS/c1-4-7-12-15-14(3,5-2)13(17)16(12)10-11-8-6-9-18-11/h11-12,15H,4-10H2,1-3H3
InChIKeySTPATWKCZMCBOF-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.61
Rot. Bonds5

About 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83271309) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83271309
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(C)(CC)C(=O)N1CC1CCCS1
InChIInChI=1S/C14H26N2OS/c1-4-7-12-15-14(3,5-2)13(17)16(12)10-11-8-6-9-18-11/h11-12,15H,4-10H2,1-3H3
InChIKeySTPATWKCZMCBOF-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353
5-ethyl-5-methyl-3-[(3-methylcyclopentyl)methyl]-2-propylimidazolidin-4-one
CID 107416112
3-(2,2-dicyclopropylethyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83258273
5-ethyl-5-methyl-2-propyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252241
2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271159
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 106000174
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83259462
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
5-ethyl-5-methyl-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256448
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586911

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (CID 83271309) is 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is CCCC1NC(C)(CC)C(=O)N1CC1CCCS1.
What is the InChIKey of 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is STPATWKCZMCBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-7-12-15-14(3,5-2)13(17)16(12)10-11-8-6-9-18-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 270.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83271309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).