5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione

C9H16N2O4S — CID 43557970

IUPAC5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)NC(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C9H16N2O4S/c1-6(2)11-8(12)7(10-9(11)13)4-5-16(3,14)15/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyKDLVEGAGFNBPSR-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.25
Rot. Bonds4

About 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione

5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 43557970) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID43557970
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)NC(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C9H16N2O4S/c1-6(2)11-8(12)7(10-9(11)13)4-5-16(3,14)15/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyKDLVEGAGFNBPSR-UHFFFAOYSA-N
XLogP-0.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione (CID 43557970) is 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)NC(CCS(C)(=O)=O)C1=O.
What is the InChIKey of 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is KDLVEGAGFNBPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-6(2)11-8(12)7(10-9(11)13)4-5-16(3,14)15/h6-7H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione?
5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 248.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 43557970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).