1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

C6H10N2O2S — CID 87233904

IUPAC1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)C(CS)N(C)C1=O
InChIInChI=1S/C6H10N2O2S/c1-7-4(3-11)5(9)8(2)6(7)10/h4,11H,3H2,1-2H3
InChIKeyUVTCTMDSRICILB-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.19
Rot. Bonds1

About 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87233904) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87233904
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)C(CS)N(C)C1=O
InChIInChI=1S/C6H10N2O2S/c1-7-4(3-11)5(9)8(2)6(7)10/h4,11H,3H2,1-2H3
InChIKeyUVTCTMDSRICILB-UHFFFAOYSA-N
XLogP-0.19
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87233904) is 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is CN1C(=O)C(CS)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is UVTCTMDSRICILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-7-4(3-11)5(9)8(2)6(7)10/h4,11H,3H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 174.22 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87233904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).