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

C15H18N2O3S — CID 115948871

IUPAC5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1ccsc1CN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-9-6-7-21-11(9)8-17-14(19)12(10-4-2-3-5-10)13(18)16-15(17)20/h6-7,10,12H,2-5,8H2,1H3,(H,16,18,20)
InChIKeyQMVSDEBKBLBROW-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.44
Rot. Bonds3

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

5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 115948871) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID115948871
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1ccsc1CN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-9-6-7-21-11(9)8-17-14(19)12(10-4-2-3-5-10)13(18)16-15(17)20/h6-7,10,12H,2-5,8H2,1H3,(H,16,18,20)
InChIKeyQMVSDEBKBLBROW-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.44
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-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione (CID 115948871) is 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione is Cc1ccsc1CN1C(=O)NC(=O)C(C2CCCC2)C1=O.
What is the InChIKey of 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is QMVSDEBKBLBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-6-7-21-11(9)8-17-14(19)12(10-4-2-3-5-10)13(18)16-15(17)20/h6-7,10,12H,2-5,8H2,1H3,(H,16,18,20).
What are the key properties of 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 306.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).