3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one

C13H24N2O3S — CID 83243465

IUPAC3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-9(2)8-12-14-10(3)13(16)15(12)11-4-6-19(17,18)7-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyKBOLNVVBOHDAQN-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.76
Rot. Bonds3

About 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one

3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83243465) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83243465
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-9(2)8-12-14-10(3)13(16)15(12)11-4-6-19(17,18)7-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyKBOLNVVBOHDAQN-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one (CID 83243465) is 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(C)C(=O)N1C1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is KBOLNVVBOHDAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-9(2)8-12-14-10(3)13(16)15(12)11-4-6-19(17,18)7-5-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 288.41 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83243465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).