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

C15H20N2O3S — CID 83263319

IUPAC3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)C(=O)N1C1CCCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-11-16-14(12-6-3-2-4-7-12)15(18)17(11)13-8-5-9-21(19,20)10-13/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3
InChIKeyFLPJGUFDIAWZPD-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.08
Rot. Bonds2

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

3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one (PubChem CID 83263319) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one
PubChem CID83263319
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one
SMILESCC1NC(c2ccccc2)C(=O)N1C1CCCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-11-16-14(12-6-3-2-4-7-12)15(18)17(11)13-8-5-9-21(19,20)10-13/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3
InChIKeyFLPJGUFDIAWZPD-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.08
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-3-yl)-2-methyl-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one (CID 83263319) is 3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one is CC1NC(c2ccccc2)C(=O)N1C1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one?
The InChIKey is FLPJGUFDIAWZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-16-14(12-6-3-2-4-7-12)15(18)17(11)13-8-5-9-21(19,20)10-13/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3.
What are the key properties of 3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one?
3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one has a molecular weight of 308.40 g/mol, XLogP of 1.08, 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-methyl-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83263319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).