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

C11H20N2O3S — CID 83257943

IUPAC3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8(2)11-12-6-10(14)13(11)9-4-3-5-17(15,16)7-9/h8-9,11-12H,3-7H2,1-2H3
InChIKeyYLEJMZIWOIGNHA-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.02
Rot. Bonds2

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

3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83257943) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83257943
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8(2)11-12-6-10(14)13(11)9-4-3-5-17(15,16)7-9/h8-9,11-12H,3-7H2,1-2H3
InChIKeyYLEJMZIWOIGNHA-UHFFFAOYSA-N
XLogP-0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83243721
3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83263212
2-propan-2-yl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
CID 103968836
1-(1,1-dioxothian-3-yl)piperazine-2,5-dione
CID 64956222
3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
CID 103936410
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one
CID 83250193
4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 117005417
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
1-(1,1-dioxothian-3-yl)-3-methylpiperazin-2-one
CID 115101910
3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
CID 83244541
1-(1,1-dioxothian-3-yl)-1,3-diazinane-2,4,6-trione
CID 112598032
3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 115282314

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one (CID 83257943) is 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one is CC(C)C1NCC(=O)N1C1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is YLEJMZIWOIGNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)11-12-6-10(14)13(11)9-4-3-5-17(15,16)7-9/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one?
3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 260.36 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83257943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).