5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

C15H22N2O3S — CID 115948899

IUPAC5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCC1(CN2C(=O)NC(=O)C(C3CCCC3)C2=O)CCCS1
InChIInChI=1S/C15H22N2O3S/c1-15(7-4-8-21-15)9-17-13(19)11(10-5-2-3-6-10)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyZUXBLGIIFIYWCE-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.16
Rot. Bonds3

About 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 115948899) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID115948899
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCC1(CN2C(=O)NC(=O)C(C3CCCC3)C2=O)CCCS1
InChIInChI=1S/C15H22N2O3S/c1-15(7-4-8-21-15)9-17-13(19)11(10-5-2-3-6-10)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyZUXBLGIIFIYWCE-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.16
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
3-bromo-1-[(2-methylthiolan-2-yl)methyl]piperidin-2-one
CID 80724485
5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115947978
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948871
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
CID 106211126
2-[(2-methylthiolan-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 80730414
1-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 80730835
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione (CID 115948899) is 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione is CC1(CN2C(=O)NC(=O)C(C3CCCC3)C2=O)CCCS1.
What is the InChIKey of 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is ZUXBLGIIFIYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(7-4-8-21-15)9-17-13(19)11(10-5-2-3-6-10)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20).
What are the key properties of 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 310.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).