5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one

C15H28N2O3S — CID 83245017

IUPAC5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(C2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C15H28N2O3S/c1-5-11(4)13-15(18)17(14(16-13)10(2)3)12-6-8-21(19,20)9-7-12/h10-14,16H,5-9H2,1-4H3
InChIKeyOHZWPXLXQIFDEL-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.39
Rot. Bonds4

About 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one

5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83245017) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83245017
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(C2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C15H28N2O3S/c1-5-11(4)13-15(18)17(14(16-13)10(2)3)12-6-8-21(19,20)9-7-12/h10-14,16H,5-9H2,1-4H3
InChIKeyOHZWPXLXQIFDEL-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
CID 83244291
3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243310
5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83252000
5-butan-2-yl-3-cyclobutyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83254319
3-butan-2-yl-1-(1,1-dioxothiolan-3-yl)piperazine-2,5-dione
CID 64957144
5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
CID 83263151
5-butan-2-yl-2-(4-chlorophenyl)-3-cyclopropylimidazolidin-4-one
CID 83242460
6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243550
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 83259293
5-butan-2-yl-3-(3-methylcyclopentyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 114552346
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one (CID 83245017) is 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one is CCC(C)C1NC(C(C)C)N(C2CCS(=O)(=O)CC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is OHZWPXLXQIFDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-5-11(4)13-15(18)17(14(16-13)10(2)3)12-6-8-21(19,20)9-7-12/h10-14,16H,5-9H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one?
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 316.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83245017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).