3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione

C7H12N2O2S2 — CID 175619867

IUPAC3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione
SMILESCCC(SS)N1C(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O2S2/c1-3-6(13-12)9-5(10)4-8(2)7(9)11/h6,12H,3-4H2,1-2H3
InChIKeyZUAKIFPUBXWBBR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.19
Rot. Bonds3

About 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione

3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione (PubChem CID 175619867) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione
PubChem CID175619867
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione
SMILESCCC(SS)N1C(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O2S2/c1-3-6(13-12)9-5(10)4-8(2)7(9)11/h6,12H,3-4H2,1-2H3
InChIKeyZUAKIFPUBXWBBR-UHFFFAOYSA-N
XLogP1.19
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 130635522
1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione
CID 70860856
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione
CID 79937209
1-methyl-3-[(1S)-2-methyl-1-phenylpropyl]imidazolidine-2,4-dione
CID 100676777
1-methyl-3-(2-methyl-1-phenylpropyl)imidazolidine-2,4-dione
CID 119033776
1-methyl-3-methylsulfanylimidazolidine-2,4-dione
CID 170140676
2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid
CID 63647102
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 112778993
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723

Frequently Asked Questions

What is the IUPAC name of 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione (CID 175619867) is 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione is CCC(SS)N1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is ZUAKIFPUBXWBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-3-6(13-12)9-5(10)4-8(2)7(9)11/h6,12H,3-4H2,1-2H3.
What are the key properties of 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione?
3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 220.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 175619867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).