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

C13H18N2O2S — CID 95142893

IUPAC(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)CCN1C(=O)N[C@](C)(c2cccs2)C1=O
InChIInChI=1S/C13H18N2O2S/c1-9(2)6-7-15-11(16)13(3,14-12(15)17)10-5-4-8-18-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyDPVXTMBCTVQIHN-CYBMUJFWSA-N
MW266.37 g/mol
LogP2.56
Rot. Bonds4

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

(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 95142893) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID95142893
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)CCN1C(=O)N[C@](C)(c2cccs2)C1=O
InChIInChI=1S/C13H18N2O2S/c1-9(2)6-7-15-11(16)13(3,14-12(15)17)10-5-4-8-18-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyDPVXTMBCTVQIHN-CYBMUJFWSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.56
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

(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
(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-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 94184499
(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
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514634
N-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 71900241
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55481097

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione (CID 95142893) is (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione is CC(C)CCN1C(=O)N[C@](C)(c2cccs2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is DPVXTMBCTVQIHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)6-7-15-11(16)13(3,14-12(15)17)10-5-4-8-18-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)/t13-/m1/s1.
What are the key properties of (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 266.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95142893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).