3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

C11H18N2O2S — CID 75407166

IUPAC3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/CSCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O2S/c1-4-5-7-16-8-6-13-9(14)11(2,3)12-10(13)15/h4-5H,6-8H2,1-3H3,(H,12,15)/b5-4+
InChIKeyKIPMQULQJMFLOD-SNAWJCMRSA-N
MW242.34 g/mol
LogP1.63
Rot. Bonds5

About 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 75407166) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID75407166
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/CSCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O2S/c1-4-5-7-16-8-6-13-9(14)11(2,3)12-10(13)15/h4-5H,6-8H2,1-3H3,(H,12,15)/b5-4+
InChIKeyKIPMQULQJMFLOD-SNAWJCMRSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid
CID 107773127
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 46580993
3-[2-(4-hydroxyphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47298341
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 38637594
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 38638293
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21493759

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 75407166) is 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is C/C=C/CSCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KIPMQULQJMFLOD-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-5-7-16-8-6-13-9(14)11(2,3)12-10(13)15/h4-5H,6-8H2,1-3H3,(H,12,15)/b5-4+.
What are the key properties of 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 242.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 75407166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).