1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

C11H20N2O2S — CID 87234060

IUPAC1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)N(CC)C(=O)C1(C)CS
InChIInChI=1S/C11H20N2O2S/c1-4-6-7-13-10(15)12(5-2)9(14)11(13,3)8-16/h16H,4-8H2,1-3H3
InChIKeySUNCFXFMYQRKSA-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.76
Rot. Bonds5

About 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87234060) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87234060
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)N(CC)C(=O)C1(C)CS
InChIInChI=1S/C11H20N2O2S/c1-4-6-7-13-10(15)12(5-2)9(14)11(13,3)8-16/h16H,4-8H2,1-3H3
InChIKeySUNCFXFMYQRKSA-UHFFFAOYSA-N
XLogP1.76
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
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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Related Compounds

5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
CID 21324143
1-dodecyl-3,3-dimethyl-4-methylideneazetidin-2-one
CID 102412122
1-butyl-5,5-dimethylpyrrolidin-2-one
CID 14887124
1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
CID 54136300
1-ethyl-4,4-dimethylpyrrolidine-2,3,5-trione
CID 11126684
5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234072
(3R)-1-butyl-3-chloro-3-methylquinoline-2,4-dione
CID 7003892
6-butyl-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886836
1,3-bis(3-methoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434094
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
1-butyl-2,2,3,3-tetramethylaziridine
CID 18717625
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87234060) is 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is CCCCN1C(=O)N(CC)C(=O)C1(C)CS.
What is the InChIKey of 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is SUNCFXFMYQRKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-6-7-13-10(15)12(5-2)9(14)11(13,3)8-16/h16H,4-8H2,1-3H3.
What are the key properties of 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 244.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87234060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).