4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide

C7H11N3O3S — CID 22446551

IUPAC4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide
SMILESCSCCC1(C(N)=O)NC(=O)NC1=O
InChIInChI=1S/C7H11N3O3S/c1-14-3-2-7(4(8)11)5(12)9-6(13)10-7/h2-3H2,1H3,(H2,8,11)(H2,9,10,12,13)
InChIKeyFQXDHJLDFNLGKI-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.20
Rot. Bonds4

About 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide

4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide (PubChem CID 22446551) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide
PubChem CID22446551
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide
SMILESCSCCC1(C(N)=O)NC(=O)NC1=O
InChIInChI=1S/C7H11N3O3S/c1-14-3-2-7(4(8)11)5(12)9-6(13)10-7/h2-3H2,1H3,(H2,8,11)(H2,9,10,12,13)
InChIKeyFQXDHJLDFNLGKI-UHFFFAOYSA-N
XLogP-1.20
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide?
The IUPAC name of 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide (CID 22446551) is 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide.
What is the SMILES notation for 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide?
The canonical SMILES for 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide is CSCCC1(C(N)=O)NC(=O)NC1=O.
What is the InChIKey of 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide?
The InChIKey is FQXDHJLDFNLGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14-3-2-7(4(8)11)5(12)9-6(13)10-7/h2-3H2,1H3,(H2,8,11)(H2,9,10,12,13).
What are the key properties of 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide?
4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide has a molecular weight of 217.25 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide is sourced from PubChem (CID 22446551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).