3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione

C7H10N2O4S — CID 51721408

IUPAC3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H10N2O4S/c10-6-3-8-7(11)9(6)5-1-2-14(12,13)4-5/h5H,1-4H2,(H,8,11)/t5-/m1/s1
InChIKeyKEMVFQYQOWNWQR-RXMQYKEDSA-N
MW218.23 g/mol
LogP-1.27
Rot. Bonds1

About 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione

3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione (PubChem CID 51721408) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
PubChem CID51721408
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H10N2O4S/c10-6-3-8-7(11)9(6)5-1-2-14(12,13)4-5/h5H,1-4H2,(H,8,11)/t5-/m1/s1
InChIKeyKEMVFQYQOWNWQR-RXMQYKEDSA-N
XLogP-1.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-1.27
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 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione (CID 51721408) is 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione?
The InChIKey is KEMVFQYQOWNWQR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O4S/c10-6-3-8-7(11)9(6)5-1-2-14(12,13)4-5/h5H,1-4H2,(H,8,11)/t5-/m1/s1.
What are the key properties of 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione?
3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione has a molecular weight of 218.23 g/mol, XLogP of -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 51721408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).