1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

C8H14N2O2S — CID 87234204

IUPAC1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(=O)C1CS
InChIInChI=1S/C8H14N2O2S/c1-2-3-4-10-6(5-13)7(11)9-8(10)12/h6,13H,2-5H2,1H3,(H,9,11,12)
InChIKeyKDNNVVUGILSSLM-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.64
Rot. Bonds4

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

1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87234204) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87234204
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(=O)C1CS
InChIInChI=1S/C8H14N2O2S/c1-2-3-4-10-6(5-13)7(11)9-8(10)12/h6,13H,2-5H2,1H3,(H,9,11,12)
InChIKeyKDNNVVUGILSSLM-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
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-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87234204) is 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is CCCCN1C(=O)NC(=O)C1CS.
What is the InChIKey of 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is KDNNVVUGILSSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-3-4-10-6(5-13)7(11)9-8(10)12/h6,13H,2-5H2,1H3,(H,9,11,12).
What are the key properties of 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 202.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87234204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).