5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione

C11H15FN2O3S — CID 114116702

IUPAC5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCSC1(CN2C(=O)NC(=O)C(F)C2=O)CCCC1
InChIInChI=1S/C11H15FN2O3S/c1-18-11(4-2-3-5-11)6-14-9(16)7(12)8(15)13-10(14)17/h7H,2-6H2,1H3,(H,13,15,17)
InChIKeyTVAUYEQNJBUGJD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.08
Rot. Bonds3

About 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione

5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 114116702) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID114116702
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCSC1(CN2C(=O)NC(=O)C(F)C2=O)CCCC1
InChIInChI=1S/C11H15FN2O3S/c1-18-11(4-2-3-5-11)6-14-9(16)7(12)8(15)13-10(14)17/h7H,2-6H2,1H3,(H,13,15,17)
InChIKeyTVAUYEQNJBUGJD-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione (CID 114116702) is 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione is CSC1(CN2C(=O)NC(=O)C(F)C2=O)CCCC1.
What is the InChIKey of 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is TVAUYEQNJBUGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-18-11(4-2-3-5-11)6-14-9(16)7(12)8(15)13-10(14)17/h7H,2-6H2,1H3,(H,13,15,17).
What are the key properties of 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 274.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1-methylsulfanylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114116702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).