(5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione

C11H15N3O2S — CID 102323022

IUPAC(5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESNCCCC[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C11H15N3O2S/c12-5-2-1-3-9-10(15)14(11(16)13-9)8-4-6-17-7-8/h4,6-7,9H,1-3,5,12H2,(H,13,16)/t9-/m0/s1
InChIKeyROHGHKCAOUSKNM-VIFPVBQESA-N
MW253.33 g/mol
LogP1.30
Rot. Bonds5

About (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione

(5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323022) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323022
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name(5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESNCCCC[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C11H15N3O2S/c12-5-2-1-3-9-10(15)14(11(16)13-9)8-4-6-17-7-8/h4,6-7,9H,1-3,5,12H2,(H,13,16)/t9-/m0/s1
InChIKeyROHGHKCAOUSKNM-VIFPVBQESA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323022) is (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione is NCCCC[C@@H]1NC(=O)N(c2ccsc2)C1=O.
What is the InChIKey of (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is ROHGHKCAOUSKNM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-5-2-1-3-9-10(15)14(11(16)13-9)8-4-6-17-7-8/h4,6-7,9H,1-3,5,12H2,(H,13,16)/t9-/m0/s1.
What are the key properties of (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
(5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 253.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-aminobutyl)-3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).