5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one

C16H27N3OS — CID 83252874

IUPAC5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CCN(C)C(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-6-16(4)15(20)19(9-8-18(5)12(2)3)14(17-16)13-7-10-21-11-13/h7,10-12,14,17H,6,8-9H2,1-5H3
InChIKeyDWUMQPNHDRCQRN-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.69
Rot. Bonds6

About 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one

5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83252874) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83252874
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CCN(C)C(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-6-16(4)15(20)19(9-8-18(5)12(2)3)14(17-16)13-7-10-21-11-13/h7,10-12,14,17H,6,8-9H2,1-5H3
InChIKeyDWUMQPNHDRCQRN-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253506
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229
5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83268458
5-ethyl-5-methyl-3-[(2-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 107421445
5-ethyl-2,5-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl]imidazolidin-4-one
CID 114140888
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
5-ethyl-3-(2-methoxypropyl)-5-methyl-2-phenylimidazolidin-4-one
CID 102702062
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83252874) is 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one is CCC1(C)NC(c2ccsc2)N(CCN(C)C(C)C)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is DWUMQPNHDRCQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-6-16(4)15(20)19(9-8-18(5)12(2)3)14(17-16)13-7-10-21-11-13/h7,10-12,14,17H,6,8-9H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one?
5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83252874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).