5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione

C8H14N2O2S — CID 87701192

IUPAC5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(CS)NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2S/c1-5(2)3-8(4-13)6(11)9-7(12)10-8/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyQRDWXHCHYNMKTJ-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.54
Rot. Bonds3

About 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione

5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87701192) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87701192
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(CS)NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2S/c1-5(2)3-8(4-13)6(11)9-7(12)10-8/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyQRDWXHCHYNMKTJ-UHFFFAOYSA-N
XLogP0.54
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
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-hydroxy-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 19847219
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
5-(hydroxyamino)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
CID 118541147
2-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]acetic acid
CID 10728842
5-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 10108920
(5R)-5-ethyl-5-propan-2-ylimidazolidine-2,4-dione
CID 51382710
2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
CID 147382096
5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione
CID 19847220
(5R)-5-methyl-5-[4-(3-methylbutyl)phenyl]imidazolidine-2,4-dione
CID 767950
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
CID 146180545
(5R)-5-ethyl-5-[(2S)-2-methyl-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414348
5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234369

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87701192) is 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione is CC(C)CC1(CS)NC(=O)NC1=O.
What is the InChIKey of 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is QRDWXHCHYNMKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-5(2)3-8(4-13)6(11)9-7(12)10-8/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 202.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87701192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).