(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

C14H18N2O3S — CID 92582836

IUPAC(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O
InChIInChI=1S/C14H18N2O3S/c1-13(2,3)9(17)8-16-11(18)14(4,15-12(16)19)10-6-5-7-20-10/h5-7H,8H2,1-4H3,(H,15,19)/t14-/m1/s1
InChIKeyGEERZSDWIZYXOM-CQSZACIVSA-N
MW294.38 g/mol
LogP2.13
Rot. Bonds3

About (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 92582836) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID92582836
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O
InChIInChI=1S/C14H18N2O3S/c1-13(2,3)9(17)8-16-11(18)14(4,15-12(16)19)10-6-5-7-20-10/h5-7H,8H2,1-4H3,(H,15,19)/t14-/m1/s1
InChIKeyGEERZSDWIZYXOM-CQSZACIVSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288588
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288712
3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288570
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
N-(3-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288507

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 92582836) is (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is CC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O.
What is the InChIKey of (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is GEERZSDWIZYXOM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-13(2,3)9(17)8-16-11(18)14(4,15-12(16)19)10-6-5-7-20-10/h5-7H,8H2,1-4H3,(H,15,19)/t14-/m1/s1.
What are the key properties of (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 294.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 92582836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).