1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione

C8H15N3O2S — CID 19922762

IUPAC1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione
SMILESCCC(SN1CC(=O)NC1=O)N(C)C
InChIInChI=1S/C8H15N3O2S/c1-4-7(10(2)3)14-11-5-6(12)9-8(11)13/h7H,4-5H2,1-3H3,(H,9,12,13)
InChIKeyFNHMERPEORMINR-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.48
Rot. Bonds4

About 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione

1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione (PubChem CID 19922762) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione
PubChem CID19922762
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione
SMILESCCC(SN1CC(=O)NC1=O)N(C)C
InChIInChI=1S/C8H15N3O2S/c1-4-7(10(2)3)14-11-5-6(12)9-8(11)13/h7H,4-5H2,1-3H3,(H,9,12,13)
InChIKeyFNHMERPEORMINR-UHFFFAOYSA-N
XLogP0.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione (CID 19922762) is 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione is CCC(SN1CC(=O)NC1=O)N(C)C.
What is the InChIKey of 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione?
The InChIKey is FNHMERPEORMINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-7(10(2)3)14-11-5-6(12)9-8(11)13/h7H,4-5H2,1-3H3,(H,9,12,13).
What are the key properties of 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione?
1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione has a molecular weight of 217.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propylsulfanyl]imidazolidine-2,4-dione is sourced from PubChem (CID 19922762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).