(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione

C12H16N2O2S — CID 92579088

IUPAC(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)N[C@@](C)(c2cccs2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-8(2)7-14-10(15)12(3,13-11(14)16)9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,13,16)/t12-/m0/s1
InChIKeyWSZDGUJCQXFFQS-LBPRGKRZSA-N
MW252.34 g/mol
LogP2.17
Rot. Bonds3

About (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione

(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 92579088) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID92579088
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)N[C@@](C)(c2cccs2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-8(2)7-14-10(15)12(3,13-11(14)16)9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,13,16)/t12-/m0/s1
InChIKeyWSZDGUJCQXFFQS-LBPRGKRZSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
(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-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 94385905
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288712
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55481097
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060
3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288617
(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 94184499

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione (CID 92579088) is (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione is CC(C)CN1C(=O)N[C@@](C)(c2cccs2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is WSZDGUJCQXFFQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(2)7-14-10(15)12(3,13-11(14)16)9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,13,16)/t12-/m0/s1.
What are the key properties of (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 252.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 92579088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).