5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione

C14H22N2O3S — CID 115948242

IUPAC5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCSCC(C)CN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C14H22N2O3S/c1-9(8-20-2)7-16-13(18)11(10-5-3-4-6-10)12(17)15-14(16)19/h9-11H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyNCEARPHLRRRODS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.87
Rot. Bonds5

About 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115948242) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
PubChem CID115948242
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCSCC(C)CN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C14H22N2O3S/c1-9(8-20-2)7-16-13(18)11(10-5-3-4-6-10)12(17)15-14(16)19/h9-11H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyNCEARPHLRRRODS-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
CID 104830815
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948899
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
2-cyclopentyl-3-(2-methyl-3-methylsulfanylpropyl)-5-propylimidazolidin-4-one
CID 83256963
5-cyclopentyl-1-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione
CID 115948196
5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115947978
5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
CID 106211126
5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948871

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione (CID 115948242) is 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione is CSCC(C)CN1C(=O)NC(=O)C(C2CCCC2)C1=O.
What is the InChIKey of 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is NCEARPHLRRRODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(8-20-2)7-16-13(18)11(10-5-3-4-6-10)12(17)15-14(16)19/h9-11H,3-8H2,1-2H3,(H,15,17,19).
What are the key properties of 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 298.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).